G943-0629 Screening compound: N~1~-{2-[(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-4-methylbenzamide

G943-0629 Screening compound: N~1~-{2-[(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-4-methylbenzamide
G943-0629 Screening compound: N~1~-{2-[(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0629
N~1~-{2-[(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-4-methylbenzamide

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

G943-0629

Molecular Formula

C28H27N3O3S (C28 H27 N3 O3 S)

Compound Name

N~1~-{2-[(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-4-methylbenzamide

IUPAC name

N-{9-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-2-[(4-methylphenyl)formamido]acetamide

SMILES

Cc(cc1)ccc1C(NCC(Nc(cc1)cc(Sc2c3cccc2)c1N(C1CCCC1)C3=O)=O)=O

InChI

InChI=1S/C28H27N3O3S/c1-18-10-12-19(13-11-18)27(33)29-17-26(32)30-20-14-15-23-25(16-20)35-24-9-5-4-8-22(24)28(34)31(23)21-6-2-3-7-21/h4-5,8-16,21H,2-3,6-7,17H2,1H3,(H,29,33)(H,30,32)

InChI Key

ZUIWKFJBBLONOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.38

Polar Surface Area

62.551

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G943-0629 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0629?
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What is the minimum amount of G943-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0629
  • 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 G943-0629 available by request