C312-0129 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

C312-0129 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
C312-0129 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-0129
2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]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

C312-0129

Molecular Formula

C23H24BrN3O2S (C23 H24 BrN3 O2 S)

Compound Name

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

IUPAC name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c2cccc(Br)c2)C1=O)NCCN1CCCC1

InChI

InChI=1S/C23H24BrN3O2S/c24-18-7-5-6-17(14-18)15-21-23(29)27(19-8-1-2-9-20(19)30-21)16-22(28)25-10-13-26-11-3-4-12-26/h1-2,5-9,14-15H,3-4,10-13,16H2,(H,25,28)

InChI Key

BKFSVMGDLJECBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-4.07

Polar Surface Area

43.731

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C312-0129 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 C312-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-0129
  • 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 C312-0129 available by request