C304-1356 Screening compound: N~8~-(3,4-diethoxyphenethyl)-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-1356 Screening compound: N~8~-(3,4-diethoxyphenethyl)-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-1356 Screening compound: N~8~-(3,4-diethoxyphenethyl)-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1356
N~8~-(3,4-diethoxyphenethyl)-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

C304-1356

Molecular Formula

C30H34N2O3S (C30 H34 N2 O3 S)

Compound Name

N~8~-(3,4-diethoxyphenethyl)-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)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(NCCc(cc3)cc(OCC)c3OCC)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C30H34N2O3S/c1-5-8-24-23-17-20(4)9-13-28(23)36-29-14-11-22(19-25(29)32-24)30(33)31-16-15-21-10-12-26(34-6-2)27(18-21)35-7-3/h9-14,17-19H,5-8,15-16H2,1-4H3,(H,31,33)

InChI Key

AHRRXJXXPXAUTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.067

Water Solubility, LogSw

-5.41

Polar Surface Area

46.906

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C304-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1356?
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What is the minimum amount of C304-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1356
  • 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 C304-1356 available by request