V028-5596 Screening compound: 2-benzyl-4-(2,3-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V028-5596 Screening compound: 2-benzyl-4-(2,3-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V028-5596 Screening compound: 2-benzyl-4-(2,3-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5596
2-benzyl-4-(2,3-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

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

V028-5596

Molecular Formula

C25H27F2N7 (C25 H27 F2 N7)

Compound Name

2-benzyl-4-(2,3-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-benzyl-4-(23-difluorophenyl)-N6-[2-(piperidin-1-yl)ethyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3cccc(F)c3F)nc(NCCN3CCCCC3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C25H27F2N7/c26-19-11-7-10-18(21(19)27)22-20-23(28)34(16-17-8-3-1-4-9-17)32-24(20)31-25(30-22)29-12-15-33-13-5-2-6-14-33/h1,3-4,7-11H,2,5-6,12-16,28H2,(H,29,31,32)

InChI Key

XPGDQFXHRJALFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249804

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-4.57

Polar Surface Area

68.498

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V028-5596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5596?
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What is the minimum amount of V028-5596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5596
  • 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 V028-5596 available by request