Y070-1128 Screening compound: 2-{5-[(3Z)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

Y070-1128 Screening compound: 2-{5-[(3Z)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Y070-1128 Screening compound: 2-{5-[(3Z)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1128
2-{5-[(3Z)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-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

Y070-1128

Molecular Formula

C23H19N3O6S2 (C23 H19 N3 O6 S2)

Compound Name

2-{5-[(3Z)-1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1/C1=C(\C(N2CC(O)=O)=O)/SC2=S)C1=O)=O

InChI

InChI=1S/C23H19N3O6S2/c1-2-32-14-9-7-13(8-10-14)24-17(27)11-25-16-6-4-3-5-15(16)19(21(25)30)20-22(31)26(12-18(28)29)23(33)34-20/h3-10H,2,11-12H2,1H3,(H,24,27)(H,28,29)

InChI Key

DLWYLANMFFSWAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03417228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

-1.223

Water Solubility, LogSw

-2.92

Polar Surface Area

90.839

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

Y070-1128 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 Y070-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1128?
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What is the minimum amount of Y070-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1128
  • 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 Y070-1128 available by request