C312-1690 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-butylacetamide

C312-1690 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-butylacetamide
C312-1690 Screening compound: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1690
2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-butylacetamide

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

C312-1690

Molecular Formula

C22H23BrN2O3S (C22 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-butylacetamide

IUPAC name

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

SMILES

CCCCNC(CN(c(cccc1)c1S/C1=C/c(cc2)cc(Br)c2OC)C1=O)=O

InChI

InChI=1S/C22H23BrN2O3S/c1-3-4-11-24-21(26)14-25-17-7-5-6-8-19(17)29-20(22(25)27)13-15-9-10-18(28-2)16(23)12-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,26)

InChI Key

RUROMTZXHHSOKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.34

Polar Surface Area

47.285

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C312-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1690?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1690
  • 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 C312-1690 available by request