G849-0064 Screening compound: ethyl 4-[3-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamido]benzoate

G849-0064 Screening compound: ethyl 4-[3-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamido]benzoate
G849-0064 Screening compound: ethyl 4-[3-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G849-0064
ethyl 4-[3-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamido]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

G849-0064

Molecular Formula

C24H27N3O6S (C24 H27 N3 O6 S)

Compound Name

ethyl 4-[3-(1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamido]benzoate

IUPAC name

ethyl 4-[3-(1-cyclopropanecarbonyl-23-dihydro-1H-indole-5-sulfonamido)propanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCNS(c(cc1)cc(CC2)c1N2C(C1CC1)=O)(=O)=O)=O)=O

InChI

InChI=1S/C24H27N3O6S/c1-2-33-24(30)17-5-7-19(8-6-17)26-22(28)11-13-25-34(31,32)20-9-10-21-18(15-20)12-14-27(21)23(29)16-3-4-16/h5-10,15-16,25H,2-4,11-14H2,1H3,(H,26,28)

InChI Key

MRRGHFJFJRGVAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.74

Polar Surface Area

101.943

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G849-0064 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G849-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G849-0064?
Check Price and Availability of G849-0064, 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 G849-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G849-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G849-0064
  • 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 G849-0064 available by request