C304-0608 Screening compound: 2-chloro-N~8~-(3,4-dimethoxyphenethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0608 Screening compound: 2-chloro-N~8~-(3,4-dimethoxyphenethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0608 Screening compound: 2-chloro-N~8~-(3,4-dimethoxyphenethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0608
2-chloro-N~8~-(3,4-dimethoxyphenethyl)-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

C304-0608

Molecular Formula

C25H23ClN2O3S (C25 H23 ClN2 O3 S)

Compound Name

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

IUPAC name

13-chloro-N-[2-(34-dimethoxyphenyl)ethyl]-10-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CC1=Nc(cc(cc2)C(NCCc(cc3)cc(OC)c3OC)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C25H23ClN2O3S/c1-15-19-14-18(26)6-9-23(19)32-24-8-5-17(13-20(24)28-15)25(29)27-11-10-16-4-7-21(30-2)22(12-16)31-3/h4-9,12-14H,10-11H2,1-3H3,(H,27,29)

InChI Key

RSYKOBFXWCLLAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.86

Polar Surface Area

47.016

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C304-0608 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C304-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0608?
Check Price and Availability of C304-0608, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C304-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0608
  • 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 C304-0608 available by request