G856-9873 Screening compound: 2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

G856-9873 Screening compound: 2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
G856-9873 Screening compound: 2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9873
2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

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

G856-9873

Molecular Formula

C17H20FN5O2S2 (C17 H20 FN5 O2 S2)

Compound Name

2-({5-[(cyclohexylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

IUPAC name

2-({5-[(cyclohexylcarbamoyl)amino]-134-thiadiazol-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

SMILES

O=C(CSc1nnc(NC(NC2CCCCC2)=O)s1)Nc(cccc1)c1F

InChI

InChI=1S/C17H20FN5O2S2/c18-12-8-4-5-9-13(12)20-14(24)10-26-17-23-22-16(27-17)21-15(25)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,24)(H2,19,21,22,25)

InChI Key

XHQXRFQRPXYKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07649656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-3.92

Polar Surface Area

78.675

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G856-9873 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-9873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9873?
Check Price and Availability of G856-9873, 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 G856-9873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9873
  • 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 G856-9873 available by request