J021-4355 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

J021-4355 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
J021-4355 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-4355
3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-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

J021-4355

Molecular Formula

C17H13FN6O2S3 (C17 H13 FN6 O2 S3)

Compound Name

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

IUPAC name

3-[3-({[4-(4-fluorophenyl)-13-thiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]-N-(134-thiadiazol-2-yl)propanamide

SMILES

O=C(CCc1nc(CSc2nc(-c(cc3)ccc3F)cs2)no1)Nc1nncs1

InChI

InChI=1S/C17H13FN6O2S3/c18-11-3-1-10(2-4-11)12-7-27-17(20-12)28-8-13-21-15(26-24-13)6-5-14(25)22-16-23-19-9-29-16/h1-4,7,9H,5-6,8H2,(H,22,23,25)

InChI Key

GFHUPAJJAXZVPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.53

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

3.731

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-4.19

Polar Surface Area

88.120

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

J021-4355 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J021-4355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-4355?
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What is the minimum amount of J021-4355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-4355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-4355
  • 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 J021-4355 available by request