J021-0187 Screening compound: N-(4-fluorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0187 Screening compound: N-(4-fluorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0187 Screening compound: N-(4-fluorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0187
N-(4-fluorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-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

J021-0187

Molecular Formula

C20H17FN4O3S (C20 H17 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1oc(SCc1noc(CCC(Nc(cc3)ccc3F)=O)n1)n2

InChI

InChI=1S/C20H17FN4O3S/c1-12-2-7-16-15(10-12)23-20(27-16)29-11-17-24-19(28-25-17)9-8-18(26)22-14-5-3-13(21)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,22,26)

InChI Key

DLRPCVZUUFNYFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.17

Polar Surface Area

72.113

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-0187 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0187?
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What is the minimum amount of J021-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0187
  • 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 J021-0187 available by request