D030-0039 Screening compound: 4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

D030-0039 Screening compound: 4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide
D030-0039 Screening compound: 4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0039
4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-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

D030-0039

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-{2-[(3-methylphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCC(c1ccccc1)Nc1cc(C)ccc1)(=O)=O

InChI

InChI=1S/C22H24N2O2S/c1-17-11-13-21(14-12-17)27(25,26)23-16-22(19-8-4-3-5-9-19)24-20-10-6-7-18(2)15-20/h3-15,22-24H,16H2,1-2H3/t22-/m0/s1

InChI Key

FYCVBVDXRPFLBA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14811096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.17

Polar Surface Area

51.862

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D030-0039 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D030-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0039?
Check Price and Availability of D030-0039, 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 D030-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0039
  • 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 D030-0039 available by request