8016-9488 Screening compound: 5-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-2-furamide

8016-9488 Screening compound: 5-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-2-furamide
8016-9488 Screening compound: 5-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9488
5-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-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

8016-9488

Molecular Formula

C17H11ClF3N3O3S (C17 H11 ClF3 N3 O3 S)

Compound Name

5-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-2-furamide

IUPAC name

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(2-oxopropyl)-124-thiadiazol-5-yl]furan-2-carboxamide

SMILES

CC(Cc1nsc(NC(c2ccc(-c(cc3)cc(C(F)(F)F)c3Cl)o2)=O)n1)=O

InChI

InChI=1S/C17H11ClF3N3O3S/c1-8(25)6-14-22-16(28-24-14)23-15(26)13-5-4-12(27-13)9-2-3-11(18)10(7-9)17(19,20)21/h2-5,7H,6H2,1H3,(H,22,23,24,26)

InChI Key

GRKXFYUMSPOKCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.87

Polar Surface Area

66.914

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8016-9488 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-9488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9488?
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What is the minimum amount of 8016-9488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9488
  • 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 8016-9488 available by request