C304-0333 Screening compound: (11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(4-methylpiperidino)methanone

C304-0333 Screening compound: (11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(4-methylpiperidino)methanone
C304-0333 Screening compound: (11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(4-methylpiperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0333
(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(4-methylpiperidino)methanone

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

C304-0333

Molecular Formula

C22H24N2OS (C22 H24 N2 OS)

Compound Name

(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(4-methylpiperidino)methanone

IUPAC name

10-ethyl-6-(4-methylpiperidine-1-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CCC1=Nc(cc(cc2)C(N3CCC(C)CC3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C22H24N2OS/c1-3-18-17-6-4-5-7-20(17)26-21-9-8-16(14-19(21)23-18)22(25)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3

InChI Key

SGDCWMHAARNMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.35

Polar Surface Area

24.879

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C304-0333 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0333?
Check Price and Availability of C304-0333, 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 C304-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0333
  • 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 C304-0333 available by request