3347-3595 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic acid

3347-3595 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic acid
3347-3595 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3595
4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic 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

3347-3595

Molecular Formula

C14H17NO6S (C14 H17 NO6 S)

Compound Name

4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic acid

IUPAC name

4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methylbenzenesulfonamido}butanoic acid

SMILES

Cc(ccc(/C=C/C(O)=O)c1)c1S(NCCCC(O)=O)(=O)=O

InChI

InChI=1S/C14H17NO6S/c1-10-4-5-11(6-7-14(18)19)9-12(10)22(20,21)15-8-2-3-13(16)17/h4-7,9,15H,2-3,8H2,1H3,(H,16,17)(H,18,19)

InChI Key

YADYWZNEFPLEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.476

Distribution Coefficient, logD

-1.714

Water Solubility, LogSw

-2.13

Polar Surface Area

98.877

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3347-3595 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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 3347-3595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3595?
Check Price and Availability of 3347-3595, 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 3347-3595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3595
  • 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 3347-3595 available by request