V028-5516 Screening compound: 2-benzyl-4-(3-chlorophenyl)-N6-(cyclopropylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V028-5516 Screening compound: 2-benzyl-4-(3-chlorophenyl)-N6-(cyclopropylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V028-5516 Screening compound: 2-benzyl-4-(3-chlorophenyl)-N6-(cyclopropylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5516
2-benzyl-4-(3-chlorophenyl)-N6-(cyclopropylmethyl)-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

V028-5516

Molecular Formula

C22H21ClN6 (C22 H21 ClN6)

Compound Name

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

IUPAC name

2-benzyl-4-(3-chlorophenyl)-N6-(cyclopropylmethyl)-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

Nc1c2c(-c3cccc(Cl)c3)nc(NCC3CC3)nc2nn1Cc1ccccc1

InChI

InChI=1S/C22H21ClN6/c23-17-8-4-7-16(11-17)19-18-20(24)29(13-15-5-2-1-3-6-15)28-21(18)27-22(26-19)25-12-14-9-10-14/h1-8,11,14H,9-10,12-13,24H2,(H,25,27,28)

InChI Key

QEUWGFVBSRYOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.37

Polar Surface Area

65.198

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V028-5516 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 V028-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5516?
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What is the minimum amount of V028-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5516
  • 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 V028-5516 available by request