Y070-0521 Screening compound: 3-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y070-0521 Screening compound: 3-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y070-0521 Screening compound: 3-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0521
3-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

Y070-0521

Molecular Formula

C19H20N2O4S3 (C19 H20 N2 O4 S3)

Compound Name

3-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-{5-[(3Z)-1-butyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}-1lambda6-thiolane-11-dione

SMILES

CCCCN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O

InChI

InChI=1S/C19H20N2O4S3/c1-2-3-9-20-14-7-5-4-6-13(14)15(17(20)22)16-18(23)21(19(26)27-16)12-8-10-28(24,25)11-12/h4-7,12H,2-3,8-11H2,1H3/t12-/m1/s1

InChI Key

CIJKDQHPTCBKFP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03418370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.82

Polar Surface Area

59.820

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y070-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y070-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0521
  • 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 Y070-0521 available by request