5646-1696 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methylbutanoyl)thiourea

5646-1696 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methylbutanoyl)thiourea
5646-1696 Screening compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methylbutanoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5646-1696
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methylbutanoyl)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

5646-1696

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-11(2)10-14(22)18-17(24)19-15-12(3)20(4)21(16(15)23)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H2,18,19,22,24)

InChI Key

CZLZGLVXYFSFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03027720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

1.096

Water Solubility, LogSw

-2.12

Polar Surface Area

53.679

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-8.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

5646-1696 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5646-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5646-1696?
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What is the minimum amount of 5646-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5646-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5646-1696
  • 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 5646-1696 available by request