C304-1344 Screening compound: N~8~-[2-(1-cyclohexenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-1344 Screening compound: N~8~-[2-(1-cyclohexenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-1344 Screening compound: N~8~-[2-(1-cyclohexenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1344
N~8~-[2-(1-cyclohexenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-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

C304-1344

Molecular Formula

C26H30N2OS (C26 H30 N2 OS)

Compound Name

N~8~-[2-(1-cyclohexenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-13-methyl-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NCCC3=CCCCC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C26H30N2OS/c1-3-7-22-21-16-18(2)10-12-24(21)30-25-13-11-20(17-23(25)28-22)26(29)27-15-14-19-8-5-4-6-9-19/h8,10-13,16-17H,3-7,9,14-15H2,1-2H3,(H,27,29)

InChI Key

LYRRTXXJTWCKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.429

Distribution Coefficient, logD

6.429

Water Solubility, LogSw

-5.52

Polar Surface Area

32.678

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C304-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1344?
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What is the minimum amount of C304-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1344
  • 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 C304-1344 available by request