J021-3527 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3527 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3527 Screening compound: N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-4-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 J021-3527
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-4-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

J021-3527

Molecular Formula

C22H17N7O5S (C22 H17 N7 O5 S)

Compound Name

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

IUPAC name

N-(2-methyl-13-dioxo-23-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-4-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

CN(C(c(cc1)c2cc1NC(CCc1nc(CSc3nnc(-c4ccncc4)o3)no1)=O)=O)C2=O

InChI

InChI=1S/C22H17N7O5S/c1-29-20(31)14-3-2-13(10-15(14)21(29)32)24-17(30)4-5-18-25-16(28-34-18)11-35-22-27-26-19(33-22)12-6-8-23-9-7-12/h2-3,6-10H,4-5,11H2,1H3,(H,24,30)

InChI Key

QXOZWTPYVKJOIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-2.33

Polar Surface Area

124.265

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J021-3527 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J021-3527 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-3527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3527
  • 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 J021-3527 available by request