C304-0668 Screening compound: 2-chloro-N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0668 Screening compound: 2-chloro-N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0668 Screening compound: 2-chloro-N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0668
2-chloro-N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-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

C304-0668

Molecular Formula

C25H30ClN3OS (C25 H30 ClN3 OS)

Compound Name

2-chloro-N~8~-[3-(2,6-dimethylpiperidino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-chloro-N-[3-(26-dimethylpiperidin-1-yl)propyl]-10-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CC1N(CCCNC(c(cc2)cc3c2Sc(ccc(Cl)c2)c2C(C)=N3)=O)C(C)CCC1

InChI

InChI=1S/C25H30ClN3OS/c1-16-6-4-7-17(2)29(16)13-5-12-27-25(30)19-8-10-24-22(14-19)28-18(3)21-15-20(26)9-11-23(21)31-24/h8-11,14-17H,4-7,12-13H2,1-3H3,(H,27,30)

InChI Key

FSKNGZBLNIYLIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-5.82

Polar Surface Area

34.293

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

C304-0668 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C304-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0668?
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What is the minimum amount of C304-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0668
  • 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 C304-0668 available by request