3360-9992 Screening compound: 2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-4-carboxamide

3360-9992 Screening compound: 2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-4-carboxamide
3360-9992 Screening compound: 2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9992
2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-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

3360-9992

Molecular Formula

C27H25ClN2O (C27 H25 ClN2 O)

Compound Name

2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-4-carboxamide

IUPAC name

2-(4-tert-butylphenyl)-N-[(2-chlorophenyl)methyl]quinoline-4-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1-c1nc2ccccc2c(C(NCc(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C27H25ClN2O/c1-27(2,3)20-14-12-18(13-15-20)25-16-22(21-9-5-7-11-24(21)30-25)26(31)29-17-19-8-4-6-10-23(19)28/h4-16H,17H2,1-3H3,(H,29,31)

InChI Key

UWCARSZJEKSWPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.096

Distribution Coefficient, logD

8.095

Water Solubility, LogSw

-6.33

Polar Surface Area

32.711

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3360-9992 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3360-9992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9992?
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What is the minimum amount of 3360-9992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9992
  • 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 3360-9992 available by request