Y070-0792 Screening compound: (5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one

Y070-0792 Screening compound: (5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
Y070-0792 Screening compound: (5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0792
(5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one

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

Y070-0792

Molecular Formula

C18H15N3O5S (C18 H15 N3 O5 S)

Compound Name

(5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5E)-2-(morpholin-4-yl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-45-dihydro-13-thiazol-4-one

SMILES

[O-][N+](c1cccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)c1)=O

InChI

InChI=1S/C18H15N3O5S/c22-17-16(27-18(19-17)20-6-8-25-9-7-20)11-14-4-5-15(26-14)12-2-1-3-13(10-12)21(23)24/h1-5,10-11H,6-9H2

InChI Key

CQYMCBGYNJJBJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.40

Polar Surface Area

74.455

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y070-0792 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y070-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0792?
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What is the minimum amount of Y070-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0792
  • 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 Y070-0792 available by request