D321-0196 Screening compound: 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide

D321-0196 Screening compound: 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide
D321-0196 Screening compound: 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0196
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide

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

D321-0196

Molecular Formula

C21H17ClN4O4 (C21 H17 ClN4 O4)

Compound Name

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide

IUPAC name

4-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]-N-(2-methyl-13-dioxo-23-dihydro-1H-isoindol-5-yl)butanamide

SMILES

CN(C(c(cc1)c2cc1NC(CCCc1nc(-c(cccc3)c3Cl)no1)=O)=O)C2=O

InChI

InChI=1S/C21H17ClN4O4/c1-26-20(28)13-10-9-12(11-15(13)21(26)29)23-17(27)7-4-8-18-24-19(25-30-18)14-5-2-3-6-16(14)22/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,23,27)

InChI Key

OLYPXOIIFVZXKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09764482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.83

Polar Surface Area

83.749

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D321-0196 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 D321-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0196?
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What is the minimum amount of D321-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0196
  • 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 D321-0196 available by request