Y031-7496 Screening compound: N-(3-chloro-4-methylphenyl)-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

Y031-7496 Screening compound: N-(3-chloro-4-methylphenyl)-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide
Y031-7496 Screening compound: N-(3-chloro-4-methylphenyl)-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7496
N-(3-chloro-4-methylphenyl)-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

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

Y031-7496

Molecular Formula

C18H26ClN3O2 (C18 H26 ClN3 O2)

Compound Name

N-(3-chloro-4-methylphenyl)-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

N4-(3-chloro-4-methylphenyl)-N1N1-diethylpiperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc1cc(Cl)c(C)cc1)=O)=O

InChI

InChI=1S/C18H26ClN3O2/c1-4-21(5-2)18(24)22-10-8-14(9-11-22)17(23)20-15-7-6-13(3)16(19)12-15/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,23)

InChI Key

HJUPOKDMXVKRCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.14

Polar Surface Area

41.067

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with Y031-7496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7496?
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What is the minimum amount of Y031-7496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7496
  • 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 Y031-7496 available by request