V016-3661 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V016-3661 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V016-3661 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3661
2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-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

V016-3661

Molecular Formula

C24H22N6OS (C24 H22 N6 OS)

Compound Name

2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

2-(4-methoxyphenyl)-4-phenyl-N6-[2-(thiophen-2-yl)ethyl]-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

COc(cc1)ccc1-n(c(N)c12)nc2nc(NCCc2cccs2)nc1-c1ccccc1

InChI

InChI=1S/C24H22N6OS/c1-31-18-11-9-17(10-12-18)30-22(25)20-21(16-6-3-2-4-7-16)27-24(28-23(20)29-30)26-14-13-19-8-5-15-32-19/h2-12,15H,13-14,25H2,1H3,(H,26,28,29)

InChI Key

WLCGSAUARAQTIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248312

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.54

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

4.770

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.97

Polar Surface Area

73.214

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V016-3661 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 V016-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3661?
Check Price and Availability of V016-3661, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V016-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3661
  • 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 V016-3661 available by request