D294-0092 Screening compound: 4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

D294-0092 Screening compound: 4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide
D294-0092 Screening compound: 4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-0092
4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

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

D294-0092

Molecular Formula

C20H17ClN4O3S (C20 H17 ClN4 O3 S)

Compound Name

4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-chloro-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(cc1)ccc1N(CC(C1)c2nnc(NC(c(cc3)ccc3Cl)=O)s2)C1=O

InChI

InChI=1S/C20H17ClN4O3S/c1-28-16-8-6-15(7-9-16)25-11-13(10-17(25)26)19-23-24-20(29-19)22-18(27)12-2-4-14(21)5-3-12/h2-9,13H,10-11H2,1H3,(H,22,24,27)/t13-/m0/s1

InChI Key

ILPXUJBFPZGMRR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD09271392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

1.903

Water Solubility, LogSw

-4.46

Polar Surface Area

70.897

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D294-0092 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D294-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-0092?
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What is the minimum amount of D294-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-0092
  • 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 D294-0092 available by request