8016-9630 Screening compound: 1'-(4-methylbenzoyl)-1,4'-bipiperidine-4'-carboxamide

8016-9630 Screening compound: 1'-(4-methylbenzoyl)-1,4'-bipiperidine-4'-carboxamide
8016-9630 Screening compound: 1'-(4-methylbenzoyl)-1,4'-bipiperidine-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9630
1'-(4-methylbenzoyl)-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

8016-9630

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

1'-(4-methylbenzoyl)-1,4'-bipiperidine-4'-carboxamide

IUPAC name

1'-(4-methylbenzoyl)-[14'-bipiperidine]-4'-carboxamide

SMILES

Cc(cc1)ccc1C(N(CC1)CCC1(C(N)=O)N1CCCCC1)=O

InChI

InChI=1S/C19H27N3O2/c1-15-5-7-16(8-6-15)17(23)21-13-9-19(10-14-21,18(20)24)22-11-3-2-4-12-22/h5-8H,2-4,9-14H2,1H3,(H2,20,24)

InChI Key

VCLMSTUJXLJZTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

0.942

Water Solubility, LogSw

-2.22

Polar Surface Area

54.022

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

8016-9630 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-9630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9630?
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What is the minimum amount of 8016-9630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9630
  • 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 8016-9630 available by request