3341-3918 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2,3-dimethoxybenzenesulfonamido}butanoic acid

3341-3918 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2,3-dimethoxybenzenesulfonamido}butanoic acid
3341-3918 Screening compound: 4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2,3-dimethoxybenzenesulfonamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-3918
4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2,3-dimethoxybenzenesulfonamido}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

3341-3918

Molecular Formula

C15H19NO8S (C15 H19 NO8 S)

Compound Name

4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2,3-dimethoxybenzenesulfonamido}butanoic acid

IUPAC name

4-{5-[(1E)-2-carboxyeth-1-en-1-yl]-23-dimethoxybenzenesulfonamido}butanoic acid

SMILES

COc1cc(/C=C/C(O)=O)cc(S(NCCCC(O)=O)(=O)=O)c1OC

InChI

InChI=1S/C15H19NO8S/c1-23-11-8-10(5-6-14(19)20)9-12(15(11)24-2)25(21,22)16-7-3-4-13(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)

InChI Key

IYWJPZXARFGICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

-2.468

Water Solubility, LogSw

-1.92

Polar Surface Area

114.225

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3341-3918 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3341-3918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-3918?
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What is the minimum amount of 3341-3918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-3918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-3918
  • 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 3341-3918 available by request