C312-1683 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide

C312-1683 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide
C312-1683 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1683
2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide

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

C312-1683

Molecular Formula

C23H23BrN2O3S (C23 H23 BrN2 O3 S)

Compound Name

2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide

IUPAC name

2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-cyclopentylacetamide

SMILES

COc(ccc(/C=C1/Sc(cccc2)c2N(CC(NC2CCCC2)=O)C1=O)c1)c1Br

InChI

InChI=1S/C23H23BrN2O3S/c1-29-19-11-10-15(12-17(19)24)13-21-23(28)26(18-8-4-5-9-20(18)30-21)14-22(27)25-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3,(H,25,27)

InChI Key

QEONMBGLWQOTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.749

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-4.46

Polar Surface Area

47.263

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C312-1683 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 C312-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1683?
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What is the minimum amount of C312-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1683
  • 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 C312-1683 available by request