V002-9574 Screening compound: 3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]urea

V002-9574 Screening compound: 3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]urea
V002-9574 Screening compound: 3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9574
3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]urea

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

V002-9574

Molecular Formula

C27H28ClN5O3 (C27 H28 ClN5 O3)

Compound Name

3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]urea

IUPAC name

3-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-[2-(34-dimethoxyphenyl)ethyl]urea

SMILES

COc(ccc(CCNC(Nc1c(N)n(Cc2ccccc2)nc1-c(cc1)ccc1Cl)=O)c1)c1OC

InChI

InChI=1S/C27H28ClN5O3/c1-35-22-13-8-18(16-23(22)36-2)14-15-30-27(34)31-25-24(20-9-11-21(28)12-10-20)32-33(26(25)29)17-19-6-4-3-5-7-19/h3-13,16H,14-15,17,29H2,1-2H3,(H2,30,31,34)

InChI Key

GGTCCRDSDFKYOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265475

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-4.12

Polar Surface Area

81.025

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

V002-9574 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-9574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9574?
Check Price and Availability of V002-9574, 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 V002-9574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9574
  • 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 V002-9574 available by request