V031-3107 Screening compound: 2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V031-3107 Screening compound: 2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V031-3107 Screening compound: 2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3107
2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

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

V031-3107

Molecular Formula

C31H31FN6O (C31 H31 FN6 O)

Compound Name

2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

2-benzyl-6-(4-benzylpiperidin-1-yl)-4-(2-fluoro-4-methoxyphenyl)-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

COc(cc1)cc(F)c1-c1nc(N2CCC(Cc3ccccc3)CC2)nc2nn(Cc3ccccc3)c(N)c12

InChI

InChI=1S/C31H31FN6O/c1-39-24-12-13-25(26(32)19-24)28-27-29(33)38(20-23-10-6-3-7-11-23)36-30(27)35-31(34-28)37-16-14-22(15-17-37)18-21-8-4-2-5-9-21/h2-13,19,22H,14-18,20,33H2,1H3

InChI Key

FXMHYNVNTMXCEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.028

Distribution Coefficient, logD

7.028

Water Solubility, LogSw

-6.24

Polar Surface Area

62.957

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V031-3107 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 V031-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3107?
Check Price and Availability of V031-3107, 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 V031-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3107
  • 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 V031-3107 available by request