J021-0736 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-0736 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-0736 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[3-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0736
N-(4-chloro-2-fluorophenyl)-3-[3-({[5-(2-methylphenyl)-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

J021-0736

Molecular Formula

C21H17ClFN5O3S (C21 H17 ClFN5 O3 S)

Compound Name

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

SMILES

Cc(cccc1)c1-c(o1)nnc1SCc1noc(CCC(Nc(ccc(Cl)c2)c2F)=O)n1

InChI

InChI=1S/C21H17ClFN5O3S/c1-12-4-2-3-5-14(12)20-26-27-21(30-20)32-11-17-25-19(31-28-17)9-8-18(29)24-16-7-6-13(22)10-15(16)23/h2-7,10H,8-9,11H2,1H3,(H,24,29)

InChI Key

GQZYQCCTBMQHLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.91

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

4.071

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.42

Polar Surface Area

84.849

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with J021-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0736
  • 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 J021-0736 available by request