C304-3726 Screening compound: 11-ethyl-N~8~-[3-(4-ethylpiperazino)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-3726 Screening compound: 11-ethyl-N~8~-[3-(4-ethylpiperazino)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-3726 Screening compound: 11-ethyl-N~8~-[3-(4-ethylpiperazino)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-3726
11-ethyl-N~8~-[3-(4-ethylpiperazino)propyl]-2-methyldibenzo[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

C304-3726

Molecular Formula

C26H34N4OS (C26 H34 N4 OS)

Compound Name

11-ethyl-N~8~-[3-(4-ethylpiperazino)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

10-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-13-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCCN3CCN(CC)CC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C26H34N4OS/c1-4-22-21-17-19(3)7-9-24(21)32-25-10-8-20(18-23(25)28-22)26(31)27-11-6-12-30-15-13-29(5-2)14-16-30/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,27,31)

InChI Key

GRFYQLCRTTXONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-4.00

Polar Surface Area

40.005

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C304-3726 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C304-3726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-3726?
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What is the minimum amount of C304-3726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-3726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-3726
  • 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 C304-3726 available by request