V017-3608 Screening compound: N6-cyclohexyl-2-(3,4-dichlorophenyl)-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V017-3608 Screening compound: N6-cyclohexyl-2-(3,4-dichlorophenyl)-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V017-3608 Screening compound: N6-cyclohexyl-2-(3,4-dichlorophenyl)-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3608
N6-cyclohexyl-2-(3,4-dichlorophenyl)-4-(2-fluorophenyl)-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

V017-3608

Molecular Formula

C23H21Cl2FN6 (C23 H21 Cl2 FN6)

Compound Name

N6-cyclohexyl-2-(3,4-dichlorophenyl)-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

N6-cyclohexyl-2-(34-dichlorophenyl)-4-(2-fluorophenyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c(cccc3)c3F)nc(NC3CCCCC3)nc2nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C23H21Cl2FN6/c24-16-11-10-14(12-17(16)25)32-21(27)19-20(15-8-4-5-9-18(15)26)29-23(30-22(19)31-32)28-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7,27H2,(H,28,30,31)

InChI Key

MBCSGECEKICFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249081

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.650

Distribution Coefficient, logD

6.650

Water Solubility, LogSw

-6.95

Polar Surface Area

64.536

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V017-3608 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-3608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3608?
Check Price and Availability of V017-3608, 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 V017-3608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3608
  • 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 V017-3608 available by request