J021-3314 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide

J021-3314 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
J021-3314 Screening compound: 3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3314
3-(3-{[(5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-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

J021-3314

Molecular Formula

C22H17ClN6O4S (C22 H17 ClN6 O4 S)

Compound Name

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

IUPAC name

3-(3-{[(5-chloro-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-(2-methyl-13-dioxo-23-dihydro-1H-isoindol-5-yl)propanamide

SMILES

CN(C(c(cc1)c2cc1NC(CCc1nc(CSc3nc(cc(cc4)Cl)c4[nH]3)no1)=O)=O)C2=O

InChI

InChI=1S/C22H17ClN6O4S/c1-29-20(31)13-4-3-12(9-14(13)21(29)32)24-18(30)6-7-19-27-17(28-33-19)10-34-22-25-15-5-2-11(23)8-16(15)26-22/h2-5,8-9H,6-7,10H2,1H3,(H,24,30)(H,25,26)

InChI Key

DMTHAAXCPLZMJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.81

Polar Surface Area

102.753

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J021-3314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-3314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-3314?
Check Price and Availability of J021-3314, 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 J021-3314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3314
  • 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 J021-3314 available by request