Y020-5316 Screening compound: methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-4,5-dihydro-1,3-thiazol-5-ylidene]acetate

Y020-5316 Screening compound: methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-4,5-dihydro-1,3-thiazol-5-ylidene]acetate
Y020-5316 Screening compound: methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-4,5-dihydro-1,3-thiazol-5-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5316
methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-4,5-dihydro-1,3-thiazol-5-ylidene]acetate

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

Y020-5316

Molecular Formula

C13H11N3O4S (C13 H11 N3 O4 S)

Compound Name

methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-4,5-dihydro-1,3-thiazol-5-ylidene]acetate

IUPAC name

methyl 2-[(5Z)-4-oxo-2-(phenylhydrazido)-45-dihydro-13-thiazol-5-ylidene]acetate

SMILES

COC(/C=C1\SC(NNC(c2ccccc2)=O)=NC1=O)=O

InChI

InChI=1S/C13H11N3O4S/c1-20-10(17)7-9-12(19)14-13(21-9)16-15-11(18)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,18)(H,14,16,19)

InChI Key

LUVSSBPIBSWFHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03151345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.779

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-2.06

Polar Surface Area

80.580

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

Y020-5316 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y020-5316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5316?
Check Price and Availability of Y020-5316, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-5316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5316
  • 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 Y020-5316 available by request