V007-8690 Screening compound: 2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

V007-8690 Screening compound: 2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
V007-8690 Screening compound: 2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8690
2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

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

V007-8690

Molecular Formula

C30H35FN6O2 (C30 H35 FN6 O2)

Compound Name

2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

SMILES

CCCC(C)c1nc(N(CC2)CCN2C(COCc2ccccc2)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C30H35FN6O2/c1-4-8-21(2)28-32-29(27-22(3)34-37(30(27)33-28)25-13-11-24(31)12-14-25)36-17-15-35(16-18-36)26(38)20-39-19-23-9-6-5-7-10-23/h5-7,9-14,21H,4,8,15-20H2,1-3H3/t21-/m0/s1

InChI Key

BBXDRUPQNOMLHX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19862515

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-5.39

Polar Surface Area

61.338

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V007-8690 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 V007-8690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8690?
Check Price and Availability of V007-8690, 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 V007-8690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8690
  • 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 V007-8690 available by request