8010-0864 Screening compound: 2-[(5E)-5-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

8010-0864 Screening compound: 2-[(5E)-5-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
8010-0864 Screening compound: 2-[(5E)-5-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0864
2-[(5E)-5-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

8010-0864

Molecular Formula

C16H15NO7S2 (C16 H15 NO7 S2)

Compound Name

2-[(5E)-5-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[4-(acetyloxy)-35-dimethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CC(Oc(c(OC)cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)c1)c1OC)=O

InChI

InChI=1S/C16H15NO7S2/c1-8(18)24-14-10(22-2)4-9(5-11(14)23-3)6-12-15(21)17(7-13(19)20)16(25)26-12/h4-6H,7H2,1-3H3,(H,19,20)

InChI Key

MJVCIHUULNCOMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.699

Distribution Coefficient, logD

-2.420

Water Solubility, LogSw

-1.54

Polar Surface Area

81.283

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8010-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0864?
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What is the minimum amount of 8010-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0864
  • 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 8010-0864 available by request