C304-4783 Screening compound: N~8~-(4-ethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4783 Screening compound: N~8~-(4-ethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4783 Screening compound: N~8~-(4-ethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4783
N~8~-(4-ethoxyphenethyl)-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

C304-4783

Molecular Formula

C27H28N2O2S (C27 H28 N2 O2 S)

Compound Name

N~8~-(4-ethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-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(NCCc(cc3)ccc3OCC)=O)c2Sc2c1cccc2

InChI

InChI=1S/C27H28N2O2S/c1-3-7-23-22-8-5-6-9-25(22)32-26-15-12-20(18-24(26)29-23)27(30)28-17-16-19-10-13-21(14-11-19)31-4-2/h5-6,8-15,18H,3-4,7,16-17H2,1-2H3,(H,28,30)

InChI Key

HGMYAKJWBRASRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.843

Distribution Coefficient, logD

5.843

Water Solubility, LogSw

-5.46

Polar Surface Area

39.609

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C304-4783 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C304-4783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4783?
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What is the minimum amount of C304-4783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4783
  • 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 C304-4783 available by request