J021-0285 Screening compound: 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

J021-0285 Screening compound: 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
J021-0285 Screening compound: 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0285
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-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

J021-0285

Molecular Formula

C16H13ClN6O3S2 (C16 H13 ClN6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(CCc2nc(CSc3nc(cc(cc4)Cl)c4o3)no2)=O)s1

InChI

InChI=1S/C16H13ClN6O3S2/c1-8-21-22-15(28-8)20-13(24)4-5-14-19-12(23-26-14)7-27-16-18-10-6-9(17)2-3-11(10)25-16/h2-3,6H,4-5,7H2,1H3,(H,20,22,24)

InChI Key

BMEJRNMNLFHOFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.61

Polar Surface Area

95.464

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J021-0285 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J021-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0285?
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What is the minimum amount of J021-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0285
  • 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 J021-0285 available by request