G946-0476 Screening compound: N~1~-{4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide

G946-0476 Screening compound: N~1~-{4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide
G946-0476 Screening compound: N~1~-{4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0476
N~1~-{4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}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

G946-0476

Molecular Formula

C31H22N4O3S (C31 H22 N4 O3 S)

Compound Name

N~1~-{4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide

IUPAC name

N-[4-(3-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)phenyl]benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)ccc1-c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CC2)C4=O)no1

InChI

InChI=1S/C31H22N4O3S/c36-29(19-6-2-1-3-7-19)32-22-13-10-20(11-14-22)30-33-28(34-38-30)21-12-17-25-27(18-21)39-26-9-5-4-8-24(26)31(37)35(25)23-15-16-23/h1-14,17-18,23H,15-16H2,(H,32,36)

InChI Key

UOIBFEIRILHIAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.859

Distribution Coefficient, logD

6.859

Water Solubility, LogSw

-6.19

Polar Surface Area

69.450

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

G946-0476 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 G946-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0476?
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What is the minimum amount of G946-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0476
  • 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 G946-0476 available by request