V004-9811 Screening compound: 4-{6-BENZYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}-N-[(2-METHOXYPHENYL)METHYL]PIPERAZINE-1-CARBOXAMIDE

V004-9811 Screening compound: 4-{6-BENZYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}-N-[(2-METHOXYPHENYL)METHYL]PIPERAZINE-1-CARBOXAMIDE
V004-9811 Screening compound: 4-{6-BENZYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}-N-[(2-METHOXYPHENYL)METHYL]PIPERAZINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9811
4-{6-BENZYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}-N-[(2-METHOXYPHENYL)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

V004-9811

Molecular Formula

C26H29N7O2 (C26 H29 N7 O2)

Compound Name

4-{6-BENZYL-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}-N-[(2-METHOXYPHENYL)METHYL]PIPERAZINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1nc2ncnn2c(N(CC2)CCN2C(NCc(cccc2)c2OC)=O)c1Cc1ccccc1

InChI

InChI=1S/C26H29N7O2/c1-19-22(16-20-8-4-3-5-9-20)24(33-25(30-19)28-18-29-33)31-12-14-32(15-13-31)26(34)27-17-21-10-6-7-11-23(21)35-2/h3-11,18H,12-17H2,1-2H3,(H,27,34)

InChI Key

MGIFDRZYJASPRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.73

Polar Surface Area

68.533

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V004-9811 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V004-9811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9811?
Check Price and Availability of V004-9811, 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 V004-9811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9811
  • 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 V004-9811 available by request