J021-3478 Screening compound: 3-[3-({[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

J021-3478 Screening compound: 3-[3-({[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
J021-3478 Screening compound: 3-[3-({[5-(pyridin-3-yl)-1,3,4-oxadiazol-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 J021-3478
3-[3-({[5-(pyridin-3-yl)-1,3,4-oxadiazol-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

J021-3478

Molecular Formula

C15H12N8O3S2 (C15 H12 N8 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(CSc2nnc(-c3cnccc3)o2)no1)Nc1nncs1

InChI

InChI=1S/C15H12N8O3S2/c24-11(19-14-21-17-8-28-14)3-4-12-18-10(23-26-12)7-27-15-22-20-13(25-15)9-2-1-5-16-6-9/h1-2,5-6,8H,3-4,7H2,(H,19,21,24)

InChI Key

LRUVUWSMADZUSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.430

Distribution Coefficient, logD

0.404

Water Solubility, LogSw

-1.64

Polar Surface Area

118.640

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-3478 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J021-3478 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-3478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3478
  • 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 J021-3478 available by request