G943-0454 Screening compound: N~2~-(5-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylphenyl)-2-furamide

G943-0454 Screening compound: N~2~-(5-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylphenyl)-2-furamide
G943-0454 Screening compound: N~2~-(5-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylphenyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0454
N~2~-(5-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylphenyl)-2-furamide

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

G943-0454

Molecular Formula

C29H23N3O4S (C29 H23 N3 O4 S)

Compound Name

N~2~-(5-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylphenyl)-2-furamide

IUPAC name

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

SMILES

Cc(ccc(C(Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O)=O)c1)c1NC(c1ccco1)=O

InChI

InChI=1S/C29H23N3O4S/c1-17-8-9-18(15-22(17)31-28(34)24-6-4-14-36-24)27(33)30-19-10-13-23-26(16-19)37-25-7-3-2-5-21(25)29(35)32(23)20-11-12-20/h2-10,13-16,20H,11-12H2,1H3,(H,30,33)(H,31,34)

InChI Key

RNDWRWBVYNKUNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.37

Polar Surface Area

69.016

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

G943-0454 in Drug Discovery

Included in Screening Libraries

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

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 G943-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0454?
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What is the minimum amount of G943-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0454
  • 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 G943-0454 available by request