C312-0827 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-0827 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-0827 Screening compound: N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0827
N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

C312-0827

Molecular Formula

C27H26ClN3O2S (C27 H26 ClN3 O2 S)

Compound Name

N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-{2-[benzyl(methyl)amino]ethyl}-2-[(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CN(CCNC(CN(c(cccc1)c1S/C1=C/c(cc2)ccc2Cl)C1=O)=O)Cc1ccccc1

InChI

InChI=1S/C27H26ClN3O2S/c1-30(18-21-7-3-2-4-8-21)16-15-29-26(32)19-31-23-9-5-6-10-24(23)34-25(27(31)33)17-20-11-13-22(28)14-12-20/h2-14,17H,15-16,18-19H2,1H3,(H,29,32)

InChI Key

KUTFMNXNBCWVLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-5.04

Polar Surface Area

43.477

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C312-0827 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 C312-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0827
  • 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 C312-0827 available by request