V031-0298 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine

V031-0298 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine
V031-0298 Screening compound: 1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0298
1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine

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

V031-0298

Molecular Formula

C27H29FN6O (C27 H29 FN6 O)

Compound Name

1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine

IUPAC name

1-{6-butyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-(3-fluorobenzoyl)piperazine

SMILES

CCCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CC2)CCN2C(c2cccc(F)c2)=O)n1

InChI

InChI=1S/C27H29FN6O/c1-3-4-13-23-29-25(24-19(2)31-34(26(24)30-23)22-11-6-5-7-12-22)32-14-16-33(17-15-32)27(35)20-9-8-10-21(28)18-20/h5-12,18H,3-4,13-17H2,1-2H3

InChI Key

PWAKZDWBTHMTLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857156

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.91

Polar Surface Area

54.422

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V031-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0298?
Check Price and Availability of V031-0298, 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 V031-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0298
  • 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 V031-0298 available by request