D321-0433 Screening compound: ethyl 2-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D321-0433 Screening compound: ethyl 2-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D321-0433 Screening compound: ethyl 2-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0433
ethyl 2-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D321-0433

Molecular Formula

C23H24ClN3O4S (C23 H24 ClN3 O4 S)

Compound Name

ethyl 2-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]butanamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCCc2nc(-c(cc3)ccc3Cl)no2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H24ClN3O4S/c1-2-30-23(29)20-16-6-3-4-7-17(16)32-22(20)25-18(28)8-5-9-19-26-21(27-31-19)14-10-12-15(24)13-11-14/h10-13H,2-9H2,1H3,(H,25,28)

InChI Key

GOLIBPQQSOSVTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09697173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-6.14

Polar Surface Area

74.928

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D321-0433 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 D321-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0433?
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What is the minimum amount of D321-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0433
  • 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 D321-0433 available by request