C312-0128 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-methylacetamide

C312-0128 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-methylacetamide
C312-0128 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0128
2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-methylacetamide

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

C312-0128

Molecular Formula

C18H15BrN2O2S (C18 H15 BrN2 O2 S)

Compound Name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-methylacetamide

IUPAC name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-methylacetamide

SMILES

CNC(CN(c(cccc1)c1S/C1=C/c2cccc(Br)c2)C1=O)=O

InChI

InChI=1S/C18H15BrN2O2S/c1-20-17(22)11-21-14-7-2-3-8-15(14)24-16(18(21)23)10-12-5-4-6-13(19)9-12/h2-10H,11H2,1H3,(H,20,22)

InChI Key

VKVYQQCJEHZBGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.82

Polar Surface Area

39.963

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C312-0128 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C312-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-0128?
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What is the minimum amount of C312-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0128
  • 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 C312-0128 available by request