C270-0077 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea

C270-0077 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea
C270-0077 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0077
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea

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

C270-0077

Molecular Formula

C19H20N4OS2 (C19 H20 N4 OS2)

Compound Name

3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea

IUPAC name

3-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-1-[3-(methylsulfanyl)phenyl]thiourea

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(Nc1cc(SC)ccc1)=S

InChI

InChI=1S/C19H20N4OS2/c1-13-17(18(24)23(22(13)2)15-9-5-4-6-10-15)21-19(25)20-14-8-7-11-16(12-14)26-3/h4-12H,1-3H3,(H2,20,21,25)

InChI Key

MKSJNWWWQOHETA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04220673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.46

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C270-0077 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C270-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0077?
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What is the minimum amount of C270-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0077
  • 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 C270-0077 available by request