8013-3831 Screening compound: 2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic acid

8013-3831 Screening compound: 2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic acid
8013-3831 Screening compound: 2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3831
2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic 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

8013-3831

Molecular Formula

C16H17NO6S (C16 H17 NO6 S)

Compound Name

2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic acid

IUPAC name

2-[4-(5-methoxy-2-methylbenzenesulfonamido)phenoxy]acetic acid

SMILES

Cc(ccc(OC)c1)c1S(Nc(cc1)ccc1OCC(O)=O)(=O)=O

InChI

InChI=1S/C16H17NO6S/c1-11-3-6-14(22-2)9-15(11)24(20,21)17-12-4-7-13(8-5-12)23-10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)

InChI Key

FGLZLWMUWPJZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

-1.614

Water Solubility, LogSw

-2.83

Polar Surface Area

84.315

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8013-3831 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human GPCR Annotated Library (5539 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-3831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3831?
Check Price and Availability of 8013-3831, 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 8013-3831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3831
  • 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 8013-3831 available by request