C304-4312 Screening compound: 2-chloro-11-ethyl-N~8~-isopentyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4312 Screening compound: 2-chloro-11-ethyl-N~8~-isopentyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4312 Screening compound: 2-chloro-11-ethyl-N~8~-isopentyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4312
2-chloro-11-ethyl-N~8~-isopentyldibenzo[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

C304-4312

Molecular Formula

C21H23ClN2OS (C21 H23 ClN2 OS)

Compound Name

2-chloro-11-ethyl-N~8~-isopentyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NCCC(C)C)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C21H23ClN2OS/c1-4-17-16-12-15(22)6-8-19(16)26-20-7-5-14(11-18(20)24-17)21(25)23-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,25)

InChI Key

VRAVJJAICXJULB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.872

Distribution Coefficient, logD

5.872

Water Solubility, LogSw

-5.92

Polar Surface Area

32.757

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C304-4312 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C304-4312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4312?
Check Price and Availability of C304-4312, 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 C304-4312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4312
  • 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 C304-4312 available by request