J021-3333 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

J021-3333 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
J021-3333 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-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 J021-3333
3-(3-{[(5-chloro-1H-1,3-benzodiazol-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

J021-3333

Molecular Formula

C15H12ClN7O2S2 (C15 H12 ClN7 O2 S2)

Compound Name

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

IUPAC name

3-(3-{[(5-chloro-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-(134-thiadiazol-2-yl)propanamide

SMILES

O=C(CCc1nc(CSc2nc(cc(cc3)Cl)c3[nH]2)no1)Nc1nncs1

InChI

InChI=1S/C15H12ClN7O2S2/c16-8-1-2-9-10(5-8)19-14(18-9)26-6-11-20-13(25-23-11)4-3-12(24)21-15-22-17-7-27-15/h1-2,5,7H,3-4,6H2,(H,18,19)(H,21,22,24)

InChI Key

DQFNHSWFWSNUHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-3.40

Polar Surface Area

97.038

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-3333 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J021-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-3333?
Check Price and Availability of J021-3333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J021-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3333
  • 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 J021-3333 available by request