3785-0238 Screening compound: 4-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide

3785-0238 Screening compound: 4-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide
3785-0238 Screening compound: 4-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0238
4-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide

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

3785-0238

Molecular Formula

C23H24N2O2S (C23 H24 N2 O2 S)

Compound Name

4-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide

IUPAC name

4-methyl-N-(2-methyl-1234-tetrahydroquinolin-4-yl)-N-phenylbenzene-1-sulfonamide

SMILES

CC(CC1N(c2ccccc2)S(c2ccc(C)cc2)(=O)=O)Nc2c1cccc2

InChI

InChI=1S/C23H24N2O2S/c1-17-12-14-20(15-13-17)28(26,27)25(19-8-4-3-5-9-19)23-16-18(2)24-22-11-7-6-10-21(22)23/h3-15,18,23-24H,16H2,1-2H3

InChI Key

MBPXMMDTCJXAEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.57

Polar Surface Area

42.865

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

3785-0238 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3785-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0238?
Check Price and Availability of 3785-0238, 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 3785-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0238
  • 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 3785-0238 available by request