G943-0477 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-[(phenylsulfonyl)methyl]benzamide

G943-0477 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-[(phenylsulfonyl)methyl]benzamide
G943-0477 Screening compound: N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-[(phenylsulfonyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0477
N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-[(phenylsulfonyl)methyl]benzamide

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

G943-0477

Molecular Formula

C30H24N2O4S2 (C30 H24 N2 O4 S2)

Compound Name

N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-[(phenylsulfonyl)methyl]benzamide

IUPAC name

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

SMILES

O=C(c1ccc(CS(c2ccccc2)(=O)=O)cc1)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C30H24N2O4S2/c33-29(21-12-10-20(11-13-21)19-38(35,36)24-6-2-1-3-7-24)31-22-14-17-26-28(18-22)37-27-9-5-4-8-25(27)30(34)32(26)23-15-16-23/h1-14,17-18,23H,15-16,19H2,(H,31,33)

InChI Key

LBXABAIRDBPQQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.160

Distribution Coefficient, logD

5.160

Water Solubility, LogSw

-5.36

Polar Surface Area

66.809

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

G943-0477 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 G943-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0477?
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What is the minimum amount of G943-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0477
  • 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 G943-0477 available by request