2422-1287 Screening compound: ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]but-2-enoate

2422-1287 Screening compound: ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]but-2-enoate
2422-1287 Screening compound: ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2422-1287
ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]but-2-enoate

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

2422-1287

Molecular Formula

C17H19NO3S (C17 H19 NO3 S)

Compound Name

ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]but-2-enoate

IUPAC name

ethyl (2E)-2-acetyl-4-[(2Z)-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]but-2-enoate

SMILES

CCN1c(cccc2)c2S/C1=C\C=C(/C(C)=O)\C(OCC)=O

InChI

InChI=1S/C17H19NO3S/c1-4-18-14-8-6-7-9-15(14)22-16(18)11-10-13(12(3)19)17(20)21-5-2/h6-11H,4-5H2,1-3H3

InChI Key

MIYSPSRSYQRLIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.50

Polar Surface Area

36.228

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

2422-1287 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 2422-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2422-1287?
Check Price and Availability of 2422-1287, 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 2422-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2422-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2422-1287
  • 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 2422-1287 available by request