0242-0584 Screening compound: 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid

0242-0584 Screening compound: 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid
0242-0584 Screening compound: 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0584
3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid

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

0242-0584

Molecular Formula

C18H18N2O4S (C18 H18 N2 O4 S)

Compound Name

3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid

IUPAC name

3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoic acid

SMILES

Cc(cc1)ccc1S(NC(Cc1c[nH]c2c1cccc2)C(O)=O)(=O)=O

InChI

InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)/t17-/m0/s1

InChI Key

LFRLEBFHLCJPDU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00379813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

-1.260

Water Solubility, LogSw

-2.80

Polar Surface Area

80.119

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

0242-0584 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0242-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0584?
Check Price and Availability of 0242-0584, 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 0242-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0584
  • 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 0242-0584 available by request