3456-1876 Screening compound: 3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide

3456-1876 Screening compound: 3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
3456-1876 Screening compound: 3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1876
3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-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

3456-1876

Molecular Formula

C28H29ClN2O2 (C28 H29 ClN2 O2)

Compound Name

3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide

IUPAC name

3-chloro-N-[2-methyl-1-(2-methylbutanoyl)-1234-tetrahydroquinolin-4-yl]-N-phenylbenzamide

SMILES

CCC(C)C(N(C(C)CC1N(C(c2cccc(Cl)c2)=O)c2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C28H29ClN2O2/c1-4-19(2)27(32)30-20(3)17-26(24-15-8-9-16-25(24)30)31(23-13-6-5-7-14-23)28(33)21-11-10-12-22(29)18-21/h5-16,18-20,26H,4,17H2,1-3H3

InChI Key

IAGHJXPZZKYIBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01957689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.091

Distribution Coefficient, logD

6.091

Water Solubility, LogSw

-6.02

Polar Surface Area

28.739

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

3456-1876 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3456-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1876?
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What is the minimum amount of 3456-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1876
  • 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 3456-1876 available by request