D731-0400 Screening compound: 5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide

D731-0400 Screening compound: 5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide
D731-0400 Screening compound: 5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0400
5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide

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

D731-0400

Molecular Formula

C18H13ClF3N3O3S (C18 H13 ClF3 N3 O3 S)

Compound Name

5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-3-carboxamide

IUPAC name

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

SMILES

CC(Cc1nsc(NC(c2c(C)oc(-c(cc(C(F)(F)F)cc3)c3Cl)c2)=O)n1)=O

InChI

InChI=1S/C18H13ClF3N3O3S/c1-8(26)5-15-23-17(29-25-15)24-16(27)11-7-14(28-9(11)2)12-6-10(18(20,21)22)3-4-13(12)19/h3-4,6-7H,5H2,1-2H3,(H,23,24,25,27)

InChI Key

WDTUHDJFOVWWLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07395581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.83

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

4.569

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.66

Polar Surface Area

66.568

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D731-0400 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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

References: we are preparing a list of scientific research reports with D731-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0400?
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What is the minimum amount of D731-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0400
  • 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 D731-0400 available by request