J021-1868 Screening compound: N-(2,5-dimethylphenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-1868 Screening compound: N-(2,5-dimethylphenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-1868 Screening compound: N-(2,5-dimethylphenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1868
N-(2,5-dimethylphenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-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

J021-1868

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-3-[3-({[5-(furan-2-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nnc(-c4ccco4)o3)no2)=O)c(C)cc1

InChI

InChI=1S/C20H19N5O4S/c1-12-5-6-13(2)14(10-12)21-17(26)7-8-18-22-16(25-29-18)11-30-20-24-23-19(28-20)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)

InChI Key

OGMPXDOLOBGRDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.78

Polar Surface Area

93.428

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J021-1868 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 J021-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1868?
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What is the minimum amount of J021-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1868
  • 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 J021-1868 available by request