V013-1311 Screening compound: N4-(2-benzamidocyclohexyl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

V013-1311 Screening compound: N4-(2-benzamidocyclohexyl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide
V013-1311 Screening compound: N4-(2-benzamidocyclohexyl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1311
N4-(2-benzamidocyclohexyl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

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

V013-1311

Molecular Formula

C22H32N4O3 (C22 H32 N4 O3)

Compound Name

N4-(2-benzamidocyclohexyl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

IUPAC name

N4-[(1R2R)-2-benzamidocyclohexyl]-N1N1-dimethylpiperidine-14-dicarboxamide

SMILES

CN(C)C(N(CC1)CCC1C(N[C@@H](CCCC1)[C@H]1NC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C22H32N4O3/c1-25(2)22(29)26-14-12-17(13-15-26)21(28)24-19-11-7-6-10-18(19)23-20(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,28)/t18-,19-/m0/s1

InChI Key

QKROATTVGKNDNV-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.751

Distribution Coefficient, logD

1.751

Water Solubility, LogSw

-2.16

Polar Surface Area

66.910

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

V013-1311 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1311?
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What is the minimum amount of V013-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1311
  • 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 V013-1311 available by request