1189-2007 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorobenzoyl)thiourea

1189-2007 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorobenzoyl)thiourea
1189-2007 Screening compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorobenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2007
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorobenzoyl)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

1189-2007

Molecular Formula

C19H17FN4O2S (C19 H17 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(NC(c(cc1)ccc1F)=O)=S

InChI

InChI=1S/C19H17FN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)

InChI Key

XWTFFLKSJSWTRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.60

Polar Surface Area

53.621

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1189-2007 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1189-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2007?
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What is the minimum amount of 1189-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2007
  • 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 1189-2007 available by request