G943-0514 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide

G943-0514 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide
G943-0514 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0514
N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide

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

G943-0514

Molecular Formula

C24H19N3O4S (C24 H19 N3 O4 S)

Compound Name

N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(4-nitrophenyl)acetamide

IUPAC name

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

SMILES

[O-][N+](c1ccc(CC(Nc(cc2)cc(Sc3c4cccc3)c2N(C2CC2)C4=O)=O)cc1)=O

InChI

InChI=1S/C24H19N3O4S/c28-23(13-15-5-8-18(9-6-15)27(30)31)25-16-7-12-20-22(14-16)32-21-4-2-1-3-19(21)24(29)26(20)17-10-11-17/h1-9,12,14,17H,10-11,13H2,(H,25,28)

InChI Key

BIIZGFGQMUQPRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.87

Polar Surface Area

71.213

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G943-0514 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0514?
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What is the minimum amount of G943-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0514
  • 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 G943-0514 available by request