C304-4797 Screening compound: N~8~-(2,4-dimethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4797 Screening compound: N~8~-(2,4-dimethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4797 Screening compound: N~8~-(2,4-dimethoxyphenethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4797
N~8~-(2,4-dimethoxyphenethyl)-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

C304-4797

Molecular Formula

C27H28N2O3S (C27 H28 N2 O3 S)

Compound Name

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

IUPAC name

N-[2-(24-dimethoxyphenyl)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(ccc(OC)c3)c3OC)=O)c2Sc2c1cccc2

InChI

InChI=1S/C27H28N2O3S/c1-4-7-22-21-8-5-6-9-25(21)33-26-13-11-19(16-23(26)29-22)27(30)28-15-14-18-10-12-20(31-2)17-24(18)32-3/h5-6,8-13,16-17H,4,7,14-15H2,1-3H3,(H,28,30)

InChI Key

JGVJHQLFVGNKFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.759

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.45

Polar Surface Area

47.660

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C304-4797 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 C304-4797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4797?
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What is the minimum amount of C304-4797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4797
  • 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 C304-4797 available by request