3347-3589 Screening compound: (2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid

3347-3589 Screening compound: (2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
3347-3589 Screening compound: (2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3589
(2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic 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

3347-3589

Molecular Formula

C13H17NO5S (C13 H17 NO5 S)

Compound Name

(2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid

IUPAC name

(2E)-3-{3-[(3-hydroxypropyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid

SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-10-3-4-11(5-6-13(16)17)9-12(10)20(18,19)14-7-2-8-15/h3-6,9,14-15H,2,7-8H2,1H3,(H,16,17)

InChI Key

LTHDEOLHQDOWDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

-1.817

Water Solubility, LogSw

-2.05

Polar Surface Area

87.149

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3347-3589 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 3347-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3589?
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What is the minimum amount of 3347-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3589
  • 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 3347-3589 available by request