C310-2541 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-2541 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-2541 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2-methoxyphenyl)methyl]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-2541
(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2-methoxyphenyl)methyl]-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

C310-2541

Molecular Formula

C25H21ClN2O3S (C25 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cc(cc1)C(NCc(cccc2)c2OC)=O)c1S/C1=C\c(cccc2)c2Cl)C1=O

InChI

InChI=1S/C25H21ClN2O3S/c1-28-20-13-17(24(29)27-15-18-8-4-6-10-21(18)31-2)11-12-22(20)32-23(25(28)30)14-16-7-3-5-9-19(16)26/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

DQOUHSJENZTHMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.61

Polar Surface Area

47.151

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C310-2541 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C310-2541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-2541?
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What is the minimum amount of C310-2541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2541
  • 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 C310-2541 available by request