Y070-1445 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile

Y070-1445 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Y070-1445 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1445
5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile

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

Y070-1445

Molecular Formula

C19H16N4O3S2 (C19 H16 N4 O3 S2)

Compound Name

5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile

IUPAC name

5-[(4-ethoxyphenyl)amino]-2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1Nc1c(C#N)nc(/C=C(\C(N2CC=C)=O)/SC2=S)o1

InChI

InChI=1S/C19H16N4O3S2/c1-3-9-23-18(24)15(28-19(23)27)10-16-22-14(11-20)17(26-16)21-12-5-7-13(8-6-12)25-4-2/h3,5-8,10,21H,1,4,9H2,2H3

InChI Key

DLWKQWYJVFAXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03464187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-3.98

Polar Surface Area

68.470

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y070-1445 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y070-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1445
  • 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 Y070-1445 available by request