V028-9402 Screening compound: N-[3-AMINO-4-(2,3-DIFLUOROPHENYL)-2-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]-N-TETRAHYDRO-2-FURANYLMETHYLAMINE

V028-9402 Screening compound: N-[3-AMINO-4-(2,3-DIFLUOROPHENYL)-2-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]-N-TETRAHYDRO-2-FURANYLMETHYLAMINE
V028-9402 Screening compound: N-[3-AMINO-4-(2,3-DIFLUOROPHENYL)-2-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]-N-TETRAHYDRO-2-FURANYLMETHYLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9402
N-[3-AMINO-4-(2,3-DIFLUOROPHENYL)-2-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]-N-TETRAHYDRO-2-FURANYLMETHYLAMINE

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

V028-9402

Molecular Formula

C22H19F3N6O (C22 H19 F3 N6 O)

Compound Name

N-[3-AMINO-4-(2,3-DIFLUOROPHENYL)-2-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL]-N-TETRAHYDRO-2-FURANYLMETHYLAMINE

IUPAC name

4-(23-difluorophenyl)-2-(3-fluorophenyl)-N6-[(oxolan-2-yl)methyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3cccc(F)c3F)nc(NCC3OCCC3)nc2nn1-c1cc(F)ccc1

InChI

InChI=1S/C22H19F3N6O/c23-12-4-1-5-13(10-12)31-20(26)17-19(15-7-2-8-16(24)18(15)25)28-22(29-21(17)30-31)27-11-14-6-3-9-32-14/h1-2,4-5,7-8,10,14H,3,6,9,11,26H2,(H,27,29,30)/t14-/m1/s1

InChI Key

MRJAUCCLZJKSBN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14249870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.57

Polar Surface Area

73.465

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

V028-9402 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-9402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9402?
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What is the minimum amount of V028-9402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9402
  • 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 V028-9402 available by request