1682-2107 Screening compound: 2-{5-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid

1682-2107 Screening compound: 2-{5-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid
1682-2107 Screening compound: 2-{5-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2107
2-{5-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic 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

1682-2107

Molecular Formula

C18H16N2O5S2 (C18 H16 N2 O5 S2)

Compound Name

2-{5-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-methylbutanoic acid

IUPAC name

2-{5-[(3Z)-1-acetyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)N(C(/C(/S1)=C(\c(cccc2)c2N2C(C)=O)/C2=O)=O)C1=S

InChI

InChI=1S/C18H16N2O5S2/c1-8(2)13(17(24)25)20-16(23)14(27-18(20)26)12-10-6-4-5-7-11(10)19(9(3)21)15(12)22/h4-8,13H,1-3H3,(H,24,25)/t13-/m0/s1

InChI Key

DZKFMNCMVVFKFB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00355276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

-1.587

Water Solubility, LogSw

-2.15

Polar Surface Area

72.876

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

1682-2107 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2107?
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What is the minimum amount of 1682-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2107
  • 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 1682-2107 available by request