G946-0681 Screening compound: 10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0681 Screening compound: 10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0681 Screening compound: 10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0681
10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

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

G946-0681

Molecular Formula

C27H22N4O4S (C27 H22 N4 O4 S)

Compound Name

10-cyclopentyl-7-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-cyclopentyl-5-[5-(2-methyl-3-nitrophenyl)-124-oxadiazol-3-yl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

Cc(c([N+]([O-])=O)ccc1)c1-c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1

InChI

InChI=1S/C27H22N4O4S/c1-16-19(10-6-11-21(16)31(33)34)26-28-25(29-35-26)17-13-14-22-24(15-17)36-23-12-5-4-9-20(23)27(32)30(22)18-7-2-3-8-18/h4-6,9-15,18H,2-3,7-8H2,1H3

InChI Key

UOOILGBXXQRAMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.839

Distribution Coefficient, logD

6.839

Water Solubility, LogSw

-5.66

Polar Surface Area

79.475

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G946-0681 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 G946-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0681?
Check Price and Availability of G946-0681, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G946-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0681
  • 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 G946-0681 available by request