V017-3609 Screening compound: {4-[3-amino-2-benzyl-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazino}(tetrahydro-2-furanyl)methanone

V017-3609 Screening compound: {4-[3-amino-2-benzyl-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazino}(tetrahydro-2-furanyl)methanone
V017-3609 Screening compound: {4-[3-amino-2-benzyl-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazino}(tetrahydro-2-furanyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3609
{4-[3-amino-2-benzyl-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazino}(tetrahydro-2-furanyl)methanone

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

V017-3609

Molecular Formula

C27H28FN7O2 (C27 H28 FN7 O2)

Compound Name

{4-[3-amino-2-benzyl-4-(2-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazino}(tetrahydro-2-furanyl)methanone

IUPAC name

2-benzyl-4-(2-fluorophenyl)-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

Nc1c2c(-c(cccc3)c3F)nc(N(CC3)CCN3C(C3OCCC3)=O)nc2nn1Cc1ccccc1

InChI

InChI=1S/C27H28FN7O2/c28-20-10-5-4-9-19(20)23-22-24(29)35(17-18-7-2-1-3-8-18)32-25(22)31-27(30-23)34-14-12-33(13-15-34)26(36)21-11-6-16-37-21/h1-5,7-10,21H,6,11-17,29H2/t21-/m0/s1

InChI Key

VGMUGRYZTIDBSU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14249040

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.77

Polar Surface Area

80.553

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V017-3609 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3609?
Check Price and Availability of V017-3609, 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 V017-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3609
  • 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 V017-3609 available by request