G202-0473 Screening compound: 4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0473 Screening compound: 4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0473 Screening compound: 4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G202-0473
4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

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

G202-0473

Molecular Formula

C26H30ClN3O3S (C26 H30 ClN3 O3 S)

Compound Name

4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

IUPAC name

4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-N-[3-(propan-2-yloxy)propyl]-2H3H4H5H10H-[14]thiazepino[76-b]indole-5-carboxamide

SMILES

CC(C)OCCCNC(C(c(c(cccc1)c1n1C)c1SC1)N(c(cc2)c(C)cc2Cl)C1=O)=O

InChI

InChI=1S/C26H30ClN3O3S/c1-16(2)33-13-7-12-28-25(32)24-23-19-8-5-6-9-21(19)29(4)26(23)34-15-22(31)30(24)20-11-10-18(27)14-17(20)3/h5-6,8-11,14,16,24H,7,12-13,15H2,1-4H3,(H,28,32)/t24-/m1/s1

InChI Key

JREDQDITQVLJAZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14985243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.94

Polar Surface Area

48.002

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

G202-0473 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G202-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0473?
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What is the minimum amount of G202-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0473
  • 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 G202-0473 available by request