8017-2490 Screening compound: 1'-{2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-carboxamide

8017-2490 Screening compound: 1'-{2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-carboxamide
8017-2490 Screening compound: 1'-{2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2490
1'-{2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-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

8017-2490

Molecular Formula

C21H31ClN4O4 (C21 H31 ClN4 O4)

Compound Name

1'-{2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-carboxamide

IUPAC name

1'-{[(4-chloro-25-dimethoxyphenyl)carbamoyl]methyl}-[14'-bipiperidine]-4'-carboxamide

SMILES

COc(c(NC(CN(CC1)CCC1(C(N)=O)N1CCCCC1)=O)c1)cc(Cl)c1OC

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-3.34

Polar Surface Area

78.819

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

8017-2490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-2490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2490?
Check Price and Availability of 8017-2490, 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 8017-2490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2490
  • 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 8017-2490 available by request