V012-0337 Screening compound: 4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide

V012-0337 Screening compound: 4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide
V012-0337 Screening compound: 4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0337
4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide

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

V012-0337

Molecular Formula

C27H31N7O (C27 H31 N7 O)

Compound Name

4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide

IUPAC name

4-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-N-butylpiperazine-1-carboxamide

SMILES

CCCCNC(N(CC1)CCN1c1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1)=O

InChI

InChI=1S/C27H31N7O/c1-2-3-14-28-27(35)33-17-15-32(16-18-33)25-23-20-29-34(22-12-8-5-9-13-22)26(23)31-24(30-25)19-21-10-6-4-7-11-21/h4-13,20H,2-3,14-19H2,1H3,(H,28,35)

InChI Key

ASGYLOPDDRRCCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853519

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.514

Water Solubility, LogSw

-5.41

Polar Surface Area

64.053

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V012-0337 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0337?
Check Price and Availability of V012-0337, 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 V012-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0337
  • 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 V012-0337 available by request