Y031-7491 Screening compound: N1,N1-diethyl-N4-(pyridin-2-yl)piperidine-1,4-dicarboxamide

Y031-7491 Screening compound: N1,N1-diethyl-N4-(pyridin-2-yl)piperidine-1,4-dicarboxamide
Y031-7491 Screening compound: N1,N1-diethyl-N4-(pyridin-2-yl)piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7491
N1,N1-diethyl-N4-(pyridin-2-yl)piperidine-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

Y031-7491

Molecular Formula

C16H24N4O2 (C16 H24 N4 O2)

Compound Name

N1,N1-diethyl-N4-(pyridin-2-yl)piperidine-1,4-dicarboxamide

IUPAC name

N1N1-diethyl-N4-(pyridin-2-yl)piperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc1ncccc1)=O)=O

InChI

InChI=1S/C16H24N4O2/c1-3-19(4-2)16(22)20-11-8-13(9-12-20)15(21)18-14-7-5-6-10-17-14/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,17,18,21)

InChI Key

WTEMKSCYDRMMDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.25

Polar Surface Area

50.682

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

Y031-7491 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-7491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7491?
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What is the minimum amount of Y031-7491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7491
  • 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 Y031-7491 available by request