0214-0003 Screening compound: (2E)-3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid

0214-0003 Screening compound: (2E)-3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid
0214-0003 Screening compound: (2E)-3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0214-0003
(2E)-3-[4-(dimethylamino)phenyl]-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

0214-0003

Molecular Formula

C11H13NO2S (C11 H13 NO2 S)

Compound Name

(2E)-3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid

IUPAC name

(2E)-3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid

SMILES

CN(C)c1ccc(/C=C(\C(O)=O)/S)cc1

InChI

InChI=1S/C11H13NO2S/c1-12(2)9-5-3-8(4-6-9)7-10(15)11(13)14/h3-7,15H,1-2H3,(H,13,14)

InChI Key

SMLVBPACIMMDSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

-2.642

Water Solubility, LogSw

-2.32

Polar Surface Area

31.451

Acid Dissociation Constant (pKa)

2.82

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0214-0003 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 0214-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0214-0003?
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What is the minimum amount of 0214-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0214-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0214-0003
  • 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 0214-0003 available by request