V016-7598 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine

V016-7598 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine
V016-7598 Screening compound: 1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7598
1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine

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

V016-7598

Molecular Formula

C24H25FN6O2S (C24 H25 FN6 O2 S)

Compound Name

1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine

IUPAC name

1-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-methanesulfonylpiperazine

SMILES

Cc(c1c2nc(Cc3ccccc3)nc1N(CC1)CCN1S(C)(=O)=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C24H25FN6O2S/c1-17-22-23(29-12-14-30(15-13-29)34(2,32)33)26-21(16-18-6-4-3-5-7-18)27-24(22)31(28-17)20-10-8-19(25)9-11-20/h3-11H,12-16H2,1-2H3

InChI Key

JGTYWUKAJABZQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862977

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.19

Polar Surface Area

68.977

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V016-7598 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 V016-7598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7598?
Check Price and Availability of V016-7598, 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 V016-7598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7598
  • 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 V016-7598 available by request