D294-0981 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2,4-dimethoxybenzamide

D294-0981 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2,4-dimethoxybenzamide
D294-0981 Screening compound: N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-0981
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2,4-dimethoxybenzamide

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

D294-0981

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2,4-dimethoxybenzamide

IUPAC name

N-{5-[1-(35-dimethylphenyl)-5-oxopyrrolidin-3-yl]-134-thiadiazol-2-yl}-24-dimethoxybenzamide

SMILES

Cc1cc(N(CC(C2)c3nnc(NC(c(ccc(OC)c4)c4OC)=O)s3)C2=O)cc(C)c1

InChI

InChI=1S/C23H24N4O4S/c1-13-7-14(2)9-16(8-13)27-12-15(10-20(27)28)22-25-26-23(32-22)24-21(29)18-6-5-17(30-3)11-19(18)31-4/h5-9,11,15H,10,12H2,1-4H3,(H,24,26,29)/t15-/m0/s1

InChI Key

HSXMOHREKNHNEV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09270387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-4.34

Polar Surface Area

78.527

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D294-0981 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D294-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-0981?
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What is the minimum amount of D294-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-0981
  • 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 D294-0981 available by request