V020-4445 Screening compound: 2-benzyl-N6-(2-methoxyethyl)-4-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V020-4445 Screening compound: 2-benzyl-N6-(2-methoxyethyl)-4-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V020-4445 Screening compound: 2-benzyl-N6-(2-methoxyethyl)-4-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4445
2-benzyl-N6-(2-methoxyethyl)-4-phenyl-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

V020-4445

Molecular Formula

C21H22N6O (C21 H22 N6 O)

Compound Name

2-benzyl-N6-(2-methoxyethyl)-4-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-benzyl-N6-(2-methoxyethyl)-4-phenyl-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COCCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2ccccc2)n1

InChI

InChI=1S/C21H22N6O/c1-28-13-12-23-21-24-18(16-10-6-3-7-11-16)17-19(22)27(26-20(17)25-21)14-15-8-4-2-5-9-15/h2-11H,12-14,22H2,1H3,(H,23,25,26)

InChI Key

NHJRQXAACVIQPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248288

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

374.45

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

3.209

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.55

Polar Surface Area

73.130

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V020-4445 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V020-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4445?
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What is the minimum amount of V020-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4445
  • 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 V020-4445 available by request