8017-0847 Screening compound: 2-(4-methylbenzoyl)-N~1~-(3-oxo-1,3-diphenylpropyl)-1-hydrazinecarbothioamide

8017-0847 Screening compound: 2-(4-methylbenzoyl)-N~1~-(3-oxo-1,3-diphenylpropyl)-1-hydrazinecarbothioamide
8017-0847 Screening compound: 2-(4-methylbenzoyl)-N~1~-(3-oxo-1,3-diphenylpropyl)-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0847
2-(4-methylbenzoyl)-N~1~-(3-oxo-1,3-diphenylpropyl)-1-hydrazinecarbothioamide

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

8017-0847

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

2-(4-methylbenzoyl)-N~1~-(3-oxo-1,3-diphenylpropyl)-1-hydrazinecarbothioamide

IUPAC name

4-methyl-N-{[(3-oxo-13-diphenylpropyl)carbamothioyl]amino}benzamide

SMILES

Cc(cc1)ccc1C(NNC(NC(CC(c1ccccc1)=O)c1ccccc1)=S)=O

InChI

InChI=1S/C24H23N3O2S/c1-17-12-14-20(15-13-17)23(29)26-27-24(30)25-21(18-8-4-2-5-9-18)16-22(28)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,26,29)(H2,25,27,30)/t21-/m0/s1

InChI Key

DYRPNANOQQXBKM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06013941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-4.32

Polar Surface Area

61.094

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8017-0847 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0847?
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What is the minimum amount of 8017-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0847
  • 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 8017-0847 available by request