V004-9797 Screening compound: 1-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine

V004-9797 Screening compound: 1-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine
V004-9797 Screening compound: 1-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9797
1-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine

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

V004-9797

Molecular Formula

C24H24ClN7O2 (C24 H24 ClN7 O2)

Compound Name

1-{6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine

IUPAC name

1-{6-benzyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}-4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazine

SMILES

Cc1nc2ncnn2c(N(CC2)CCN2C(c2cc(Cl)nc(OC)c2)=O)c1Cc1ccccc1

InChI

InChI=1S/C24H24ClN7O2/c1-16-19(12-17-6-4-3-5-7-17)22(32-24(28-16)26-15-27-32)30-8-10-31(11-9-30)23(33)18-13-20(25)29-21(14-18)34-2/h3-7,13-15H,8-12H2,1-2H3

InChI Key

XSAPGYZZMBNMHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960659

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.90

Polar Surface Area

66.687

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V004-9797 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with V004-9797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9797?
Check Price and Availability of V004-9797, 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 V004-9797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9797
  • 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 V004-9797 available by request