V021-7381 Screening compound: cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino}methanone

V021-7381 Screening compound: cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino}methanone
V021-7381 Screening compound: cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7381
cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino}methanone

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

V021-7381

Molecular Formula

C28H37FN6O (C28 H37 FN6 O)

Compound Name

cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino}methanone

IUPAC name

1-cyclohexanecarbonyl-4-[1-(4-fluorophenyl)-3-methyl-6-(pentan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]piperazine

SMILES

CCCC(C)c1nc(N(CC2)CCN2C(C2CCCCC2)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C28H37FN6O/c1-4-8-19(2)25-30-26(33-15-17-34(18-16-33)28(36)21-9-6-5-7-10-21)24-20(3)32-35(27(24)31-25)23-13-11-22(29)12-14-23/h11-14,19,21H,4-10,15-18H2,1-3H3/t19-/m0/s1

InChI Key

LOWWGJFXPXBDEP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19862493

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.64

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

6.141

Distribution Coefficient, logD

5.520

Water Solubility, LogSw

-5.68

Polar Surface Area

53.623

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

V021-7381 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 V021-7381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7381?
Check Price and Availability of V021-7381, 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 V021-7381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7381
  • 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 V021-7381 available by request