C122-0432 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0432 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0432 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0432
4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

C122-0432

Molecular Formula

C23H22N2O2S2 (C23 H22 N2 O2 S2)

Compound Name

4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(25-dimethylphenyl)methyl]-3-oxo-N-[(thiophen-2-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1cc(CN2c(cc(cc3)C(NCc4cccs4)=O)c3SCC2=O)c(C)cc1

InChI

InChI=1S/C23H22N2O2S2/c1-15-5-6-16(2)18(10-15)13-25-20-11-17(7-8-21(20)29-14-22(25)26)23(27)24-12-19-4-3-9-28-19/h3-11H,12-14H2,1-2H3,(H,24,27)

InChI Key

DAFIJILZPXAHTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.55

Polar Surface Area

41.051

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C122-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0432?
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What is the minimum amount of C122-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0432
  • 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 C122-0432 available by request