C310-1846 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-1846 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-1846 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-1846
(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-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

C310-1846

Molecular Formula

C22H21FN2O2S (C22 H21 FN2 O2 S)

Compound Name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-(piperidine-1-carbonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N2CCCCC2)=O)c1S/C1=C\c(cccc2)c2F)C1=O

InChI

InChI=1S/C22H21FN2O2S/c1-24-18-13-16(21(26)25-11-5-2-6-12-25)9-10-19(18)28-20(22(24)27)14-15-7-3-4-8-17(15)23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3

InChI Key

DOMJHSBUYAWGCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-3.93

Polar Surface Area

31.755

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C310-1846 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 C310-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-1846
  • 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 C310-1846 available by request