V013-3105 Screening compound: 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide

V013-3105 Screening compound: 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
V013-3105 Screening compound: 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3105
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-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

V013-3105

Molecular Formula

C26H26ClN3O2 (C26 H26 ClN3 O2)

Compound Name

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide

IUPAC name

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide

SMILES

Cc1cccc(NC(c2ccc(C)nc2C(CC2)CCN2C(c(cccc2)c2Cl)=O)=O)c1

InChI

InChI=1S/C26H26ClN3O2/c1-17-6-5-7-20(16-17)29-25(31)22-11-10-18(2)28-24(22)19-12-14-30(15-13-19)26(32)21-8-3-4-9-23(21)27/h3-11,16,19H,12-15H2,1-2H3,(H,29,31)

InChI Key

XOAYLYZYXYVSGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19928116

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.254

Water Solubility, LogSw

-5.54

Polar Surface Area

48.899

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V013-3105 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3105?
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What is the minimum amount of V013-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3105
  • 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 V013-3105 available by request