V031-1444 Screening compound: 2-BENZYL-4-(3-FLUOROPHENYL)-N6-[(OXOLAN-2-YL)METHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE

V031-1444 Screening compound: 2-BENZYL-4-(3-FLUOROPHENYL)-N6-[(OXOLAN-2-YL)METHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE
V031-1444 Screening compound: 2-BENZYL-4-(3-FLUOROPHENYL)-N6-[(OXOLAN-2-YL)METHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1444
2-BENZYL-4-(3-FLUOROPHENYL)-N6-[(OXOLAN-2-YL)METHYL]-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

V031-1444

Molecular Formula

C23H23FN6O (C23 H23 FN6 O)

Compound Name

2-BENZYL-4-(3-FLUOROPHENYL)-N6-[(OXOLAN-2-YL)METHYL]-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE

IUPAC name

n/a

SMILES

Nc1c2c(-c3cccc(F)c3)nc(NCC3OCCC3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C23H23FN6O/c24-17-9-4-8-16(12-17)20-19-21(25)30(14-15-6-2-1-3-7-15)29-22(19)28-23(27-20)26-13-18-10-5-11-31-18/h1-4,6-9,12,18H,5,10-11,13-14,25H2,(H,26,28,29)/t18-/m1/s1

InChI Key

CADIVWWMWMTGBI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14249413

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.36

Polar Surface Area

73.329

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V031-1444 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V031-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1444?
Check Price and Availability of V031-1444, 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 V031-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1444
  • 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 V031-1444 available by request