V009-1865 Screening compound: 4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V009-1865 Screening compound: 4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V009-1865 Screening compound: 4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1865
4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-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

V009-1865

Molecular Formula

C23H22ClFN6O (C23 H22 ClFN6 O)

Compound Name

4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

4-(3-chloro-4-fluorophenyl)-N6-cyclopentyl-2-(4-methoxyphenyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COc(cc1)ccc1-n(c(N)c12)nc2nc(NC2CCCC2)nc1-c(cc1)cc(Cl)c1F

InChI

InChI=1S/C23H22ClFN6O/c1-32-16-9-7-15(8-10-16)31-21(26)19-20(13-6-11-18(25)17(24)12-13)28-23(29-22(19)30-31)27-14-4-2-3-5-14/h6-12,14H,2-5,26H2,1H3,(H,27,29,30)

InChI Key

CRUUMQKYZMOCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-6.07

Polar Surface Area

72.446

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V009-1865 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1865?
Check Price and Availability of V009-1865, 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 V009-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1865
  • 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 V009-1865 available by request