V023-1547 Screening compound: N6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(2,5-DIFLUOROPHENYL)-4-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE

V023-1547 Screening compound: N6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(2,5-DIFLUOROPHENYL)-4-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE
V023-1547 Screening compound: N6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(2,5-DIFLUOROPHENYL)-4-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-1547
N6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(2,5-DIFLUOROPHENYL)-4-(3-FLUOROPHENYL)-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

V023-1547

Molecular Formula

C25H17F3N6O2 (C25 H17 F3 N6 O2)

Compound Name

N6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(2,5-DIFLUOROPHENYL)-4-(3-FLUOROPHENYL)-2H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE

IUPAC name

N6-[(2H-13-benzodioxol-5-yl)methyl]-2-(25-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3cc(F)ccc3)nc(NCc(cc3)cc4c3OCO4)nc2nn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C25H17F3N6O2/c26-15-3-1-2-14(9-15)22-21-23(29)34(18-10-16(27)5-6-17(18)28)33-24(21)32-25(31-22)30-11-13-4-7-19-20(8-13)36-12-35-19/h1-10H,11-12,29H2,(H,30,32,33)

InChI Key

GXSYAXYCGFLQEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-5.36

Polar Surface Area

81.625

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

V023-1547 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 V023-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V023-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-1547
  • 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 V023-1547 available by request