C310-0841 Screening compound: (2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-0841 Screening compound: (2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-0841 Screening compound: (2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-0841
(2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-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

C310-0841

Molecular Formula

C25H22N2O2S (C25 H22 N2 O2 S)

Compound Name

(2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-4-methyl-3-oxo-N-(2-phenylethyl)-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CN(c(cc(cc1)C(NCCc2ccccc2)=O)c1S/C1=C/c2ccccc2)C1=O

InChI

InChI=1S/C25H22N2O2S/c1-27-21-17-20(24(28)26-15-14-18-8-4-2-5-9-18)12-13-22(21)30-23(25(27)29)16-19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,26,28)

InChI Key

BYRAQONXGQUYKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

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

4.297

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.28

Polar Surface Area

39.362

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C310-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-0841?
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What is the minimum amount of C310-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-0841
  • 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 C310-0841 available by request