V027-4864 Screening compound: 4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

V027-4864 Screening compound: 4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
V027-4864 Screening compound: 4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4864
4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-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

V027-4864

Molecular Formula

C20H19ClN6 (C20 H19 ClN6)

Compound Name

4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

IUPAC name

4-(2-chlorophenyl)-N6-ethyl-N6-methyl-2-phenyl-2H-pyrazolo[34-d]pyrimidine-36-diamine

SMILES

CCN(C)c(nc(c1c2N)-c(cccc3)c3Cl)nc1nn2-c1ccccc1

InChI

InChI=1S/C20H19ClN6/c1-3-26(2)20-23-17(14-11-7-8-12-15(14)21)16-18(22)27(25-19(16)24-20)13-9-5-4-6-10-13/h4-12H,3,22H2,1-2H3

InChI Key

KBLGAQRPMJRSLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248395

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

378.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.62

Polar Surface Area

55.320

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

V027-4864 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V027-4864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4864?
Check Price and Availability of V027-4864, 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 V027-4864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4864
  • 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 V027-4864 available by request