G202-0353 Screening compound: 4-(2-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0353 Screening compound: 4-(2-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0353 Screening compound: 4-(2-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G202-0353
4-(2-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-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

G202-0353

Molecular Formula

C28H26ClN3O3S (C28 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1N(C(C(NCc(cccc1)c1OC)=O)c(c(cccc1)c1n1C)c1SC1)C1=O

InChI

InChI=1S/C28H26ClN3O3S/c1-17-12-13-22(20(29)14-17)32-24(33)16-36-28-25(19-9-5-6-10-21(19)31(28)2)26(32)27(34)30-15-18-8-4-7-11-23(18)35-3/h4-14,26H,15-16H2,1-3H3,(H,30,34)/t26-/m1/s1

InChI Key

HFEXJKGTXKFQQQ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14985230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.200

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.71

Polar Surface Area

48.319

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

G202-0353 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G202-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0353?
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What is the minimum amount of G202-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0353
  • 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 G202-0353 available by request