C387-2133 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine

C387-2133 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine
C387-2133 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-2133
4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine

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

C387-2133

Molecular Formula

C29H29N3O2 (C29 H29 N3 O2)

Compound Name

4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine

IUPAC name

4-(4-benzylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)quinolin-2-amine

SMILES

COc(cccc1)c1Nc1nc2ccccc2c(C(N2CCC(Cc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C29H29N3O2/c1-34-27-14-8-7-13-26(27)31-28-20-24(23-11-5-6-12-25(23)30-28)29(33)32-17-15-22(16-18-32)19-21-9-3-2-4-10-21/h2-14,20,22H,15-19H2,1H3,(H,30,31)

InChI Key

ZLUPNRZPGNAYHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

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

6.623

Distribution Coefficient, logD

6.567

Water Solubility, LogSw

-6.03

Polar Surface Area

41.358

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C387-2133 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular

References: we are preparing a list of scientific research reports with C387-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-2133?
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What is the minimum amount of C387-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-2133
  • 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 C387-2133 available by request