4311-2627 Screening compound: 3-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}pentane-2,4-dione

4311-2627 Screening compound: 3-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}pentane-2,4-dione
4311-2627 Screening compound: 3-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}pentane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4311-2627
3-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}pentane-2,4-dione

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

4311-2627

Molecular Formula

C16H17NO2S (C16 H17 NO2 S)

Compound Name

3-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}pentane-2,4-dione

IUPAC name

3-{2-[(2E)-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]ethylidene}pentane-24-dione

SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-4-17-14-7-5-6-8-15(14)20-16(17)10-9-13(11(2)18)12(3)19/h5-10H,4H2,1-3H3

InChI Key

TWMFLRXNNMQWSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-2.82

Polar Surface Area

29.301

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4311-2627 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4311-2627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4311-2627?
Check Price and Availability of 4311-2627, 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 4311-2627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4311-2627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4311-2627
  • 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 4311-2627 available by request