1189-2752 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide

1189-2752 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide
1189-2752 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2752
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide

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

1189-2752

Molecular Formula

C14H17N3OS2 (C14 H17 N3 OS2)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)(ethylsulfanyl)carbothioamide

SMILES

CCSC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=S

InChI

InChI=1S/C14H17N3OS2/c1-4-20-14(19)15-12-10(2)16(3)17(13(12)18)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,15,19)

InChI Key

RDKBXFLQARGTMS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-2.32

Polar Surface Area

29.926

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 1189-2752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2752?
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What is the minimum amount of 1189-2752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2752
  • 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 1189-2752 available by request