3456-4002 Screening compound: N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-1-carboxamide

3456-4002 Screening compound: N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-1-carboxamide
3456-4002 Screening compound: N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-4002
N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-1-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

3456-4002

Molecular Formula

C20H23ClN2O2 (C20 H23 ClN2 O2)

Compound Name

N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-1-carboxamide

IUPAC name

N-(4-chlorophenyl)-6-methoxy-224-trimethyl-1234-tetrahydroquinoline-1-carboxamide

SMILES

CC(CC1(C)C)c(cc(cc2)OC)c2N1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H23ClN2O2/c1-13-12-20(2,3)23(18-10-9-16(25-4)11-17(13)18)19(24)22-15-7-5-14(21)6-8-15/h5-11,13H,12H2,1-4H3,(H,22,24)/t13-/m1/s1

InChI Key

ATOYXQCBMJKCES-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01796275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.00

Polar Surface Area

30.689

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

3456-4002 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3456-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-4002?
Check Price and Availability of 3456-4002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3456-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-4002
  • 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 3456-4002 available by request