C310-1852 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-1852 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-1852 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-1852
(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

C310-1852

Molecular Formula

C23H18FN3O2S (C23 H18 FN3 O2 S)

Compound Name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-N-[(pyridin-3-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CN(c(cc(cc1)C(NCc2cnccc2)=O)c1S/C1=C\c(cccc2)c2F)C1=O

InChI

InChI=1S/C23H18FN3O2S/c1-27-19-11-17(22(28)26-14-15-5-4-10-25-13-15)8-9-20(19)30-21(23(27)29)12-16-6-2-3-7-18(16)24/h2-13H,14H2,1H3,(H,26,28)

InChI Key

JYNJLIXTVPDFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.66

Polar Surface Area

49.038

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C310-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-1852
  • 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 C310-1852 available by request