G269-0435 Screening compound: ethyl 3-(N-phenyl5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)propanoate

G269-0435 Screening compound: ethyl 3-(N-phenyl5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)propanoate
G269-0435 Screening compound: ethyl 3-(N-phenyl5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0435
ethyl 3-(N-phenyl5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)propanoate

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

G269-0435

Molecular Formula

C22H26N2O5S2 (C22 H26 N2 O5 S2)

Compound Name

ethyl 3-(N-phenyl5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)propanoate

IUPAC name

ethyl 3-(N-phenyl5-acetyl-2345-tetrahydro-15-benzothiazepine-7-sulfonamido)propanoate

SMILES

CCOC(CCN(c1ccccc1)S(c(cc1)cc2c1SCCCN2C(C)=O)(=O)=O)=O

InChI

InChI=1S/C22H26N2O5S2/c1-3-29-22(26)12-14-24(18-8-5-4-6-9-18)31(27,28)19-10-11-21-20(16-19)23(17(2)25)13-7-15-30-21/h4-6,8-11,16H,3,7,12-15H2,1-2H3

InChI Key

SPGHDYVNPZNPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.545

Water Solubility, LogSw

-3.89

Polar Surface Area

68.584

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G269-0435 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0435?
Check Price and Availability of G269-0435, 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 G269-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0435
  • 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 G269-0435 available by request