1682-0296 Screening compound: (2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-2-enoic acid

1682-0296 Screening compound: (2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-2-enoic acid
1682-0296 Screening compound: (2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-0296
(2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-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

1682-0296

Molecular Formula

C10H10O3S (C10 H10 O3 S)

Compound Name

(2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-2-enoic acid

IUPAC name

(2Z)-3-(4-methoxyphenyl)-2-sulfanylprop-2-enoic acid

SMILES

COc1ccc(/C=C(/C(O)=O)\S)cc1

InChI

InChI=1S/C10H10O3S/c1-13-8-4-2-7(3-5-8)6-9(14)10(11)12/h2-6,14H,1H3,(H,11,12)

InChI Key

AMARKEGDFSBLFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00457581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

-2.750

Water Solubility, LogSw

-1.87

Polar Surface Area

36.190

Acid Dissociation Constant (pKa)

2.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1682-0296 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1682-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-0296?
Check Price and Availability of 1682-0296, 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 1682-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-0296
  • 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 1682-0296 available by request