G943-0621 Screening compound: 1-(3-chlorophenyl)-N~3~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

G943-0621 Screening compound: 1-(3-chlorophenyl)-N~3~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide
G943-0621 Screening compound: 1-(3-chlorophenyl)-N~3~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0621
1-(3-chlorophenyl)-N~3~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

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

G943-0621

Molecular Formula

C29H26ClN3O3S (C29 H26 ClN3 O3 S)

Compound Name

1-(3-chlorophenyl)-N~3~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(3-chlorophenyl)-N-{9-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c1cccc(Cl)c1)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CCCC1)C3=O

InChI

InChI=1S/C29H26ClN3O3S/c30-19-6-5-9-22(15-19)32-17-18(14-27(32)34)28(35)31-20-12-13-24-26(16-20)37-25-11-4-3-10-23(25)29(36)33(24)21-7-1-2-8-21/h3-6,9-13,15-16,18,21H,1-2,7-8,14,17H2,(H,31,35)/t18-/m1/s1

InChI Key

LIRAHXWQINLKGK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27169029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-5.83

Polar Surface Area

54.829

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G943-0621 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0621?
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What is the minimum amount of G943-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0621
  • 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 G943-0621 available by request