J021-1340 Screening compound: N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-1340 Screening compound: N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-1340 Screening compound: N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1340
N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-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

J021-1340

Molecular Formula

C21H19BrN6O2S (C21 H19 BrN6 O2 S)

Compound Name

N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-(4-bromo-3-methylphenyl)-3-(3-{[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc(cc(cc1)NC(CCc2nc(CSc3nnc(-c4ccccc4)[nH]3)no2)=O)c1Br

InChI

InChI=1S/C21H19BrN6O2S/c1-13-11-15(7-8-16(13)22)23-18(29)9-10-19-24-17(28-30-19)12-31-21-25-20(26-27-21)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,29)(H,25,26,27)

InChI Key

RCSQMHGSXPRZSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-4.22

Polar Surface Area

87.957

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J021-1340 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J021-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1340?
Check Price and Availability of J021-1340, 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 J021-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1340
  • 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 J021-1340 available by request