C312-0516 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-0516 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-0516 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0516
(2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-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

C312-0516

Molecular Formula

C21H19FN2O2S (C21 H19 FN2 O2 S)

Compound Name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN(c(cccc1)c1S/C1=C\c(cccc2)c2F)C1=O)N1CCCC1

InChI

InChI=1S/C21H19FN2O2S/c22-16-8-2-1-7-15(16)13-19-21(26)24(14-20(25)23-11-5-6-12-23)17-9-3-4-10-18(17)27-19/h1-4,7-10,13H,5-6,11-12,14H2

InChI Key

RZMMLFOOVYEIBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.03

Polar Surface Area

31.828

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C312-0516 in Drug Discovery

Included in Screening Libraries

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 C312-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0516?
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What is the minimum amount of C312-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0516
  • 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 C312-0516 available by request