V016-5428 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea

V016-5428 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea
V016-5428 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5428
1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea

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

V016-5428

Molecular Formula

C20H20ClN5O (C20 H20 ClN5 O)

Compound Name

1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea

IUPAC name

1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-cyclopropylurea

SMILES

Nc(n(Cc1ccccc1)nc1-c(cc2)ccc2Cl)c1NC(NC1CC1)=O

InChI

InChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)17-18(24-20(27)23-16-10-11-16)19(22)26(25-17)12-13-4-2-1-3-5-13/h1-9,16H,10-12,22H2,(H2,23,24,27)

InChI Key

ZLYVDLHZLMIUFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265482

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.63

Polar Surface Area

65.979

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V016-5428 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V016-5428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5428?
Check Price and Availability of V016-5428, 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 V016-5428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5428
  • 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 V016-5428 available by request