G202-0456 Screening compound: ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate

G202-0456 Screening compound: ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
G202-0456 Screening compound: ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G202-0456
ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G202-0456

Molecular Formula

C28H33N3O5S (C28 H33 N3 O5 S)

Compound Name

ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate

IUPAC name

ethyl 4-(10-methyl-3-oxo-5-{[3-(propan-2-yloxy)propyl]carbamoyl}-2H3H4H5H10H-[14]thiazepino[76-b]indol-4-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(NCCCOC(C)C)=O)c(c(cccc1)c1n1C)c1SC1)C1=O)=O

InChI

InChI=1S/C28H33N3O5S/c1-5-35-28(34)19-11-13-20(14-12-19)31-23(32)17-37-27-24(21-9-6-7-10-22(21)30(27)4)25(31)26(33)29-15-8-16-36-18(2)3/h6-7,9-14,18,25H,5,8,15-17H2,1-4H3,(H,29,33)/t25-/m0/s1

InChI Key

UGLZPDIMOFSVDS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27210354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-3.97

Polar Surface Area

69.057

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

G202-0456 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cyclic Ugi PPI Library (9586 compounds)

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G202-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0456?
Check Price and Availability of G202-0456, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G202-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0456
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G202-0456 available by request