C699-0351 Screening compound: ethyl 4-{4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-amido}benzoate

C699-0351 Screening compound: ethyl 4-{4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-amido}benzoate
C699-0351 Screening compound: ethyl 4-{4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0351
ethyl 4-{4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-amido}benzoate

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

C699-0351

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

ethyl 4-{4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-amido}benzoate

IUPAC name

ethyl 4-{4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc2c1SCCN2Cc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H26N2O3S/c1-3-31-26(30)20-8-11-22(12-9-20)27-25(29)21-10-13-24-23(16-21)28(14-15-32-24)17-19-6-4-18(2)5-7-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,29)

InChI Key

WUGBLKVCOGIGJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-5.32

Polar Surface Area

46.646

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C699-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0351?
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What is the minimum amount of C699-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0351
  • 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 C699-0351 available by request