G943-0340 Screening compound: 5-bromo-N~2~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide

G943-0340 Screening compound: 5-bromo-N~2~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide
G943-0340 Screening compound: 5-bromo-N~2~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0340
5-bromo-N~2~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-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

G943-0340

Molecular Formula

C21H17BrN2O3S (C21 H17 BrN2 O3 S)

Compound Name

5-bromo-N~2~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide

IUPAC name

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

SMILES

CCCN(c(ccc(NC(c(o1)ccc1Br)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H17BrN2O3S/c1-2-11-24-15-8-7-13(23-20(25)16-9-10-19(22)27-16)12-18(15)28-17-6-4-3-5-14(17)21(24)26/h3-10,12H,2,11H2,1H3,(H,23,25)

InChI Key

TYNIYNOZJOHIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.40

Polar Surface Area

47.668

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G943-0340 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 G943-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0340?
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What is the minimum amount of G943-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0340
  • 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 G943-0340 available by request