J021-4379 Screening compound: N-(3,5-difluorophenyl)-3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-4379 Screening compound: N-(3,5-difluorophenyl)-3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-4379 Screening compound: N-(3,5-difluorophenyl)-3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-4379
N-(3,5-difluorophenyl)-3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-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

J021-4379

Molecular Formula

C21H15F3N4O2S2 (C21 H15 F3 N4 O2 S2)

Compound Name

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

IUPAC name

N-(35-difluorophenyl)-3-[3-({[4-(4-fluorophenyl)-13-thiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

O=C(CCc1nc(CSc2nc(-c(cc3)ccc3F)cs2)no1)Nc1cc(F)cc(F)c1

InChI

InChI=1S/C21H15F3N4O2S2/c22-13-3-1-12(2-4-13)17-10-31-21(26-17)32-11-18-27-20(30-28-18)6-5-19(29)25-16-8-14(23)7-15(24)9-16/h1-4,7-10H,5-6,11H2,(H,25,29)

InChI Key

QZBNFKHBOLXIJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

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

5.690

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.90

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J021-4379 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with J021-4379 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-4379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-4379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-4379
  • 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 J021-4379 available by request