V016-8228 Screening compound: 1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one

V016-8228 Screening compound: 1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one
V016-8228 Screening compound: 1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8228
1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-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

V016-8228

Molecular Formula

C32H32N6OS (C32 H32 N6 OS)

Compound Name

1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one

IUPAC name

1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CC1)CCN1C(CSc1ccccc1)=O)nn2-c1ccccc1

InChI

InChI=1S/C32H32N6OS/c1-23-13-15-25(16-14-23)21-28-33-31(30-24(2)35-38(32(30)34-28)26-9-5-3-6-10-26)37-19-17-36(18-20-37)29(39)22-40-27-11-7-4-8-12-27/h3-16H,17-22H2,1-2H3

InChI Key

XNTCUZLCQKCYHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857279

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

548.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.841

Water Solubility, LogSw

-5.82

Polar Surface Area

53.623

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V016-8228 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V016-8228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8228?
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What is the minimum amount of V016-8228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8228
  • 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 V016-8228 available by request