G943-0478 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide

G943-0478 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
G943-0478 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0478
N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-1-phenyl-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

G943-0478

Molecular Formula

C27H23N3O3S (C27 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1=O)CN1c1ccccc1)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C27H23N3O3S/c31-25-14-17(16-29(25)19-6-2-1-3-7-19)26(32)28-18-10-13-22-24(15-18)34-23-9-5-4-8-21(23)27(33)30(22)20-11-12-20/h1-10,13,15,17,20H,11-12,14,16H2,(H,28,32)/t17-/m0/s1

InChI Key

QJBJSOJEHMWHFN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15076613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

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

4.109

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.35

Polar Surface Area

54.794

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G943-0478 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0478?
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What is the minimum amount of G943-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0478
  • 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 G943-0478 available by request