C699-0342 Screening compound: N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0342 Screening compound: N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0342 Screening compound: N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0342
N-(2-methylphenyl)-4-[(4-methylphenyl)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

C699-0342

Molecular Formula

C24H24N2OS (C24 H24 N2 OS)

Compound Name

N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-(2-methylphenyl)-4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1ccc(CN2c(cc(cc3)C(Nc4c(C)cccc4)=O)c3SCC2)cc1

InChI

InChI=1S/C24H24N2OS/c1-17-7-9-19(10-8-17)16-26-13-14-28-23-12-11-20(15-22(23)26)24(27)25-21-6-4-3-5-18(21)2/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)

InChI Key

DIDMEGFEKQPXIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-4.90

Polar Surface Area

25.195

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

C699-0342 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C699-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0342?
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What is the minimum amount of C699-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0342
  • 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 C699-0342 available by request