J021-0654 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0654 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0654 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0654
N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)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

J021-0654

Molecular Formula

C20H15ClFN5O3S (C20 H15 ClFN5 O3 S)

Compound Name

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

IUPAC name

N-(4-chloro-2-fluorophenyl)-3-(3-{[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc(ccc(Cl)c1)c1F

InChI

InChI=1S/C20H15ClFN5O3S/c21-13-6-7-15(14(22)10-13)23-17(28)8-9-18-24-16(27-30-18)11-31-20-26-25-19(29-20)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,23,28)

InChI Key

DCVSTIBYDNZLKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.44

Polar Surface Area

84.849

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J021-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0654
  • 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 J021-0654 available by request