V031-1397 Screening compound: 3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea

V031-1397 Screening compound: 3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea
V031-1397 Screening compound: 3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1397
3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea

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

V031-1397

Molecular Formula

C22H24ClN5O (C22 H24 ClN5 O)

Compound Name

3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea

IUPAC name

3-[5-amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1-cyclohexylurea

SMILES

Nc(n(-c1ccccc1)nc1-c(cc2)ccc2Cl)c1NC(NC1CCCCC1)=O

InChI

InChI=1S/C22H24ClN5O/c23-16-13-11-15(12-14-16)19-20(26-22(29)25-17-7-3-1-4-8-17)21(24)28(27-19)18-9-5-2-6-10-18/h2,5-6,9-14,17H,1,3-4,7-8,24H2,(H2,25,26,29)

InChI Key

ZKEBPQHMHYWXCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846706

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.68

Polar Surface Area

65.784

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V031-1397 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V031-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1397?
Check Price and Availability of V031-1397, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V031-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1397
  • 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 V031-1397 available by request