D294-1253 Screening compound: 4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate

D294-1253 Screening compound: 4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate
D294-1253 Screening compound: 4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-1253
4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate

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

D294-1253

Molecular Formula

C22H19ClN4O4S (C22 H19 ClN4 O4 S)

Compound Name

4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}carbamoyl)phenyl acetate

IUPAC name

4-({5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}carbamoyl)phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc1nnc(C(CC2=O)CN2c2cc(Cl)c(C)cc2)s1)=O)=O

InChI

InChI=1S/C22H19ClN4O4S/c1-12-3-6-16(10-18(12)23)27-11-15(9-19(27)29)21-25-26-22(32-21)24-20(30)14-4-7-17(8-5-14)31-13(2)28/h3-8,10,15H,9,11H2,1-2H3,(H,24,26,30)/t15-/m1/s1

InChI Key

XCQJPFYZGUWPNJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09270407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.94

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

3.880

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-4.45

Polar Surface Area

84.104

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D294-1253 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-1253?
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What is the minimum amount of D294-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-1253
  • 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 D294-1253 available by request