V005-7905 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one

V005-7905 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one
V005-7905 Screening compound: 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7905
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-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

V005-7905

Molecular Formula

C28H31FN6O2 (C28 H31 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc1nc(N(CC2)CCN2C(COc2ccccc2)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C28H31FN6O2/c1-3-4-10-24-30-27(26-20(2)32-35(28(26)31-24)22-13-11-21(29)12-14-22)34-17-15-33(16-18-34)25(36)19-37-23-8-6-5-7-9-23/h5-9,11-14H,3-4,10,15-19H2,1-2H3

InChI Key

HTVXRHAGUXPWBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862407

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.74

Polar Surface Area

61.393

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V005-7905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7905?
Check Price and Availability of V005-7905, 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 V005-7905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7905
  • 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 V005-7905 available by request