V029-0261 Screening compound: N6-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V029-0261 Screening compound: N6-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V029-0261 Screening compound: N6-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0261
N6-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(2-methoxyphenyl)-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

V029-0261

Molecular Formula

C26H21FN6O3 (C26 H21 FN6 O3)

Compound Name

N6-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

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

SMILES

COc(cccc1)c1-c(c1c2N)nc(NCc(cc3)cc4c3OCO4)nc1nn2-c(cc1)ccc1F

InChI

InChI=1S/C26H21FN6O3/c1-34-19-5-3-2-4-18(19)23-22-24(28)33(17-9-7-16(27)8-10-17)32-25(22)31-26(30-23)29-13-15-6-11-20-21(12-15)36-14-35-20/h2-12H,13-14,28H2,1H3,(H,29,31,32)

InChI Key

NFRXXIFLEFKRHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248884

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-4.74

Polar Surface Area

89.557

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V029-0261 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 V029-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0261?
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What is the minimum amount of V029-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0261
  • 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 V029-0261 available by request