D294-2001 Screening compound: N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide

D294-2001 Screening compound: N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
D294-2001 Screening compound: N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-2001
N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide

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

D294-2001

Molecular Formula

C19H23ClN4O2S (C19 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

N-{5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-33-dimethylbutanamide

SMILES

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

InChI

InChI=1S/C19H23ClN4O2S/c1-11-5-6-13(8-14(11)20)24-10-12(7-16(24)26)17-22-23-18(27-17)21-15(25)9-19(2,3)4/h5-6,8,12H,7,9-10H2,1-4H3,(H,21,23,25)/t12-/m1/s1

InChI Key

BVGMPKCKFRZUSH-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09443030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.55

Polar Surface Area

63.411

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D294-2001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-2001?
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What is the minimum amount of D294-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-2001
  • 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 D294-2001 available by request