V016-7585 Screening compound: 1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one

V016-7585 Screening compound: 1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one
V016-7585 Screening compound: 1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7585
1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one

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

V016-7585

Molecular Formula

C28H30N6O3 (C28 H30 N6 O3)

Compound Name

1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one

IUPAC name

1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl]piperazin-1-yl}-2-phenoxyethan-1-one

SMILES

O=C(COc1ccccc1)N(CC1)CCN1c1nc(C2CCOCC2)nc2c1cnn2-c1ccccc1

InChI

InChI=1S/C28H30N6O3/c35-25(20-37-23-9-5-2-6-10-23)32-13-15-33(16-14-32)27-24-19-29-34(22-7-3-1-4-8-22)28(24)31-26(30-27)21-11-17-36-18-12-21/h1-10,19,21H,11-18,20H2

InChI Key

JHENIQABXXVIAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.07

Polar Surface Area

67.879

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V016-7585 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V016-7585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7585?
Check Price and Availability of V016-7585, 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 V016-7585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7585
  • 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 V016-7585 available by request