6291-0033 Screening compound: 3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid

6291-0033 Screening compound: 3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
6291-0033 Screening compound: 3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6291-0033
3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic 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

6291-0033

Molecular Formula

C19H20N2O4S2 (C19 H20 N2 O4 S2)

Compound Name

3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid

IUPAC name

3-{4-oxo-5-[(3E)-2-oxo-1-pentyl-23-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-13-thiazolidin-3-yl}propanoic acid

SMILES

CCCCCN(c(cccc1)c1/C1=C(/C(N2CCC(O)=O)=O)\SC2=S)C1=O

InChI

InChI=1S/C19H20N2O4S2/c1-2-3-6-10-20-13-8-5-4-7-12(13)15(17(20)24)16-18(25)21(19(26)27-16)11-9-14(22)23/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,22,23)

InChI Key

UBQXPUQYZKENBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02342107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

0.311

Water Solubility, LogSw

-3.50

Polar Surface Area

60.795

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 6291-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6291-0033?
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What is the minimum amount of 6291-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6291-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6291-0033
  • 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 6291-0033 available by request