V001-4664 Screening compound: 4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V001-4664 Screening compound: 4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V001-4664 Screening compound: 4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4664
4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

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

V001-4664

Molecular Formula

C26H23ClN6 (C26 H23 ClN6)

Compound Name

4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

4-(4-chlorophenyl)-2-(3-methylphenyl)-N6-(2-phenylethyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Cc1cccc(-n(c(N)c23)nc3nc(NCCc3ccccc3)nc2-c(cc2)ccc2Cl)c1

InChI

InChI=1S/C26H23ClN6/c1-17-6-5-9-21(16-17)33-24(28)22-23(19-10-12-20(27)13-11-19)30-26(31-25(22)32-33)29-15-14-18-7-3-2-4-8-18/h2-13,16H,14-15,28H2,1H3,(H,29,31,32)

InChI Key

NCSNYVYILPDBQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268104

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.022

Distribution Coefficient, logD

6.021

Water Solubility, LogSw

-6.29

Polar Surface Area

64.652

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V001-4664 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V001-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4664?
Check Price and Availability of V001-4664, 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 V001-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4664
  • 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 V001-4664 available by request