J021-2645 Screening compound: N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-2645 Screening compound: N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-2645 Screening compound: N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-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 J021-2645
N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-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

J021-2645

Molecular Formula

C22H21ClN6O2S (C22 H21 ClN6 O2 S)

Compound Name

N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(2-chloro-6-methylphenyl)-3-[3-({[5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

Cc(cc1)ccc1-c([nH]1)nnc1SCc1noc(CCC(Nc(c(C)ccc2)c2Cl)=O)n1

InChI

InChI=1S/C22H21ClN6O2S/c1-13-6-8-15(9-7-13)21-26-22(28-27-21)32-12-17-24-19(31-29-17)11-10-18(30)25-20-14(2)4-3-5-16(20)23/h3-9H,10-12H2,1-2H3,(H,25,30)(H,26,27,28)

InChI Key

CRJPXJRZIQYAJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.97

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

4.215

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-4.39

Polar Surface Area

86.561

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J021-2645 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J021-2645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-2645?
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What is the minimum amount of J021-2645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2645
  • 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 J021-2645 available by request