V016-8646 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methoxyethan-1-one

V016-8646 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methoxyethan-1-one
V016-8646 Screening compound: 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8646
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-methoxyethan-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

V016-8646

Molecular Formula

C26H27FN6O2 (C26 H27 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c(N(CC2)CCN2C(COC)=O)nc(Cc2ccccc2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C26H27FN6O2/c1-18-24-25(32-14-12-31(13-15-32)23(34)17-35-2)28-22(16-19-6-4-3-5-7-19)29-26(24)33(30-18)21-10-8-20(27)9-11-21/h3-11H,12-17H2,1-2H3

InChI Key

CJWAFLRAOBWDRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862864

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.70

Polar Surface Area

62.318

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V016-8646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8646?
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What is the minimum amount of V016-8646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8646
  • 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 V016-8646 available by request