C699-0441 Screening compound: N-[3-(azepan-1-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0441 Screening compound: N-[3-(azepan-1-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0441 Screening compound: N-[3-(azepan-1-yl)propyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0441
N-[3-(azepan-1-yl)propyl]-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

C699-0441

Molecular Formula

C26H35N3OS (C26 H35 N3 OS)

Compound Name

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

IUPAC name

N-[3-(azepan-1-yl)propyl]-4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1ccc(CN2c(cc(cc3)C(NCCCN4CCCCCC4)=O)c3SCC2)cc1

InChI

InChI=1S/C26H35N3OS/c1-21-7-9-22(10-8-21)20-29-17-18-31-25-12-11-23(19-24(25)29)26(30)27-13-6-16-28-14-4-2-3-5-15-28/h7-12,19H,2-6,13-18,20H2,1H3,(H,27,30)

InChI Key

KUZJQRRWCLFWFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-4.11

Polar Surface Area

31.370

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C699-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0441?
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What is the minimum amount of C699-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0441
  • 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 C699-0441 available by request