J021-4309 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

J021-4309 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
J021-4309 Screening compound: 3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-4309
3-[3-({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

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

J021-4309

Molecular Formula

C21H17FN4O2S2 (C21 H17 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(CSc2nc(-c(cc3)ccc3F)cs2)no1)Nc1ccccc1

InChI

InChI=1S/C21H17FN4O2S2/c22-15-8-6-14(7-9-15)17-12-29-21(24-17)30-13-18-25-20(28-26-18)11-10-19(27)23-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,23,27)

InChI Key

BHFQOQAPDGYFHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.96

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J021-4309 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J021-4309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-4309?
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What is the minimum amount of J021-4309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-4309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-4309
  • 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 J021-4309 available by request