1683-0112 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid

1683-0112 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid
1683-0112 Screening compound: (2Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0112
(2Z)-3-(3,4-dimethoxyphenyl)-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

1683-0112

Molecular Formula

C11H12O4S (C11 H12 O4 S)

Compound Name

(2Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid

IUPAC name

(2Z)-3-(34-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid

SMILES

COc(ccc(/C=C(/C(O)=O)\S)c1)c1OC

InChI

InChI=1S/C11H12O4S/c1-14-8-4-3-7(5-9(8)15-2)6-10(16)11(12)13/h3-6,16H,1-2H3,(H,12,13)

InChI Key

CBSSDYIFWLVFGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00034685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

-3.134

Water Solubility, LogSw

-1.81

Polar Surface Area

43.907

Acid Dissociation Constant (pKa)

2.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

1683-0112 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1683-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0112?
Check Price and Availability of 1683-0112, 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 1683-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0112
  • 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 1683-0112 available by request