C304-2254 Screening compound: (2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone

C304-2254 Screening compound: (2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone
C304-2254 Screening compound: (2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-2254
(2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)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

C304-2254

Molecular Formula

C23H23BrN2O3S (C23 H23 BrN2 O3 S)

Compound Name

(2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone

IUPAC name

13-bromo-6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CCC1=Nc(cc(cc2)C(N(CC3)CCC33OCCO3)=O)c2Sc(cc2)c1cc2Br

InChI

InChI=1S/C23H23BrN2O3S/c1-2-18-17-14-16(24)4-6-20(17)30-21-5-3-15(13-19(21)25-18)22(27)26-9-7-23(8-10-26)28-11-12-29-23/h3-6,13-14H,2,7-12H2,1H3

InChI Key

ZAKLFZUCKLADBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.24

Polar Surface Area

39.316

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C304-2254 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C304-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-2254?
Check Price and Availability of C304-2254, 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 C304-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-2254
  • 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 C304-2254 available by request