V002-8556 Screening compound: 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

V002-8556 Screening compound: 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
V002-8556 Screening compound: 4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8556
4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-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

V002-8556

Molecular Formula

C25H27N7O2 (C25 H27 N7 O2)

Compound Name

4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

IUPAC name

4-[6-(4-methoxyphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

SMILES

Cc1cccc(CNC(N(CC2)CCN2c(n2ncnc2nc2)c2-c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C25H27N7O2/c1-18-4-3-5-19(14-18)15-27-25(33)31-12-10-30(11-13-31)23-22(16-26-24-28-17-29-32(23)24)20-6-8-21(34-2)9-7-20/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,33)

InChI Key

SIJZSVLBQFKQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961222

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.62

Polar Surface Area

68.391

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V002-8556 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-8556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8556?
Check Price and Availability of V002-8556, 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 V002-8556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8556
  • 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 V002-8556 available by request