6186-1817 Screening compound: methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-5-ylidene]acetate

6186-1817 Screening compound: methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-5-ylidene]acetate
6186-1817 Screening compound: methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-5-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-1817
methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-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

6186-1817

Molecular Formula

C13H11N3O3S (C13 H11 N3 O3 S)

Compound Name

methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-5-ylidene]acetate

IUPAC name

methyl 2-[(5Z)-4-oxo-2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-45-dihydro-13-thiazol-5-ylidene]acetate

SMILES

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

InChI

InChI=1S/C13H11N3O3S/c1-19-11(17)7-10-12(18)15-13(20-10)16-14-8-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,18)

InChI Key

ZMJOWBVJCSXFIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.808

Distribution Coefficient, logD

1.628

Water Solubility, LogSw

-2.25

Polar Surface Area

64.699

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6186-1817 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6186-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-1817?
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What is the minimum amount of 6186-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-1817
  • 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 6186-1817 available by request