C312-0889 Screening compound: N-(2,2-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C312-0889 Screening compound: N-(2,2-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C312-0889 Screening compound: N-(2,2-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0889
N-(2,2-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)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

C312-0889

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

N-(2,2-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-(22-dimethoxyethyl)-2-[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

Cc1c(/C=C2\Sc(cccc3)c3N(CC(NCC(OC)OC)=O)C2=O)cccc1

InChI

InChI=1S/C22H24N2O4S/c1-15-8-4-5-9-16(15)12-19-22(26)24(17-10-6-7-11-18(17)29-19)14-20(25)23-13-21(27-2)28-3/h4-12,21H,13-14H2,1-3H3,(H,23,25)

InChI Key

NDOJJOOANAGFSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.35

Polar Surface Area

55.307

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C312-0889 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C312-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C312-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0889
  • 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 C312-0889 available by request