C310-2561 Screening compound: (2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-2561 Screening compound: (2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-2561 Screening compound: (2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-2561
(2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-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

C310-2561

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

(2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-butyl-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCCCNC(c(cc1)cc(N(C)C2=O)c1S/C2=C\c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H21ClN2O2S/c1-3-4-11-23-20(25)15-9-10-18-17(12-15)24(2)21(26)19(27-18)13-14-7-5-6-8-16(14)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)

InChI Key

RBNFHBLALHKLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

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

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.81

Polar Surface Area

39.633

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C310-2561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-2561?
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What is the minimum amount of C310-2561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2561
  • 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 C310-2561 available by request