J021-4365 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

J021-4365 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
J021-4365 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-4365
3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-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

J021-4365

Molecular Formula

C19H16FN5O3S2 (C19 H16 FN5 O3 S2)

Compound Name

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

IUPAC name

3-[3-({[4-(4-fluorophenyl)-13-thiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nc(-c(cc4)ccc4F)cs3)no2)=O)no1

InChI

InChI=1S/C19H16FN5O3S2/c1-11-8-15(24-27-11)22-17(26)6-7-18-23-16(25-28-18)10-30-19-21-14(9-29-19)12-2-4-13(20)5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,22,24,26)

InChI Key

BFFSNOPTRHGMLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

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

4.602

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.36

Polar Surface Area

86.340

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

J021-4365 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J021-4365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-4365?
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What is the minimum amount of J021-4365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-4365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-4365
  • 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 J021-4365 available by request