J021-1171 Screening compound: 3-[3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

J021-1171 Screening compound: 3-[3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
J021-1171 Screening compound: 3-[3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1171
3-[3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

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

J021-1171

Molecular Formula

C21H16ClFN4O2S2 (C21 H16 ClFN4 O2 S2)

Compound Name

3-[3-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

IUPAC name

3-[3-({[4-(4-chlorophenyl)-13-thiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

SMILES

O=C(CCc1nc(CSc2nc(-c(cc3)ccc3Cl)cs2)no1)Nc(cc1)ccc1F

InChI

InChI=1S/C21H16ClFN4O2S2/c22-14-3-1-13(2-4-14)17-11-30-21(25-17)31-12-18-26-20(29-27-18)10-9-19(28)24-16-7-5-15(23)6-8-16/h1-8,11H,9-10,12H2,(H,24,28)

InChI Key

ZBCAPLYPIZOYPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-6.16

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with J021-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1171?
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What is the minimum amount of J021-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1171
  • 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 J021-1171 available by request