1549-0037 Screening compound: ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate

1549-0037 Screening compound: ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate
1549-0037 Screening compound: ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1549-0037
ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate

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

1549-0037

Molecular Formula

C13H15NO5S (C13 H15 NO5 S)

Compound Name

ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate

IUPAC name

ethyl (2E)-3-(4-acetamidobenzenesulfonyl)prop-2-enoate

SMILES

CCOC(/C=C/S(c(cc1)ccc1NC(C)=O)(=O)=O)=O

InChI

InChI=1S/C13H15NO5S/c1-3-19-13(16)8-9-20(17,18)12-6-4-11(5-7-12)14-10(2)15/h4-9H,3H2,1-2H3,(H,14,15)

InChI Key

XUUCIYFOJPYKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01218669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.913

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.14

Polar Surface Area

72.695

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1549-0037 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1549-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1549-0037?
Check Price and Availability of 1549-0037, 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 1549-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1549-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1549-0037
  • 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 1549-0037 available by request