4480-0871 Screening compound: 4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide

4480-0871 Screening compound: 4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide
4480-0871 Screening compound: 4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4480-0871
4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide

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

4480-0871

Molecular Formula

C21H21ClN2O (C21 H21 ClN2 O)

Compound Name

4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide

IUPAC name

4-chloro-N-{8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl}-N-phenylbenzamide

SMILES

CN(C(CC1)C2)C1C=C2N(C(c(cc1)ccc1Cl)=O)c1ccccc1

InChI

InChI=1S/C21H21ClN2O/c1-23-18-11-12-19(23)14-20(13-18)24(17-5-3-2-4-6-17)21(25)15-7-9-16(22)10-8-15/h2-10,13,18-19H,11-12,14H2,1H3

InChI Key

PAAJTXSXVPEGFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374674

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

352.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.48

Polar Surface Area

18.344

Acid Dissociation Constant (pKa)

27.22

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

4480-0871 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4480-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4480-0871?
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What is the minimum amount of 4480-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4480-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4480-0871
  • 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 4480-0871 available by request