C304-1189 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(piperidino)methanone

C304-1189 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(piperidino)methanone
C304-1189 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1189
(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(piperidino)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

C304-1189

Molecular Formula

C21H22N2OS (C21 H22 N2 OS)

Compound Name

(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(piperidino)methanone

IUPAC name

1013-dimethyl-6-(piperidine-1-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

Cc(cc1)cc2c1Sc(ccc(C(N1CCCCC1)=O)c1)c1N=C2C

InChI

InChI=1S/C21H22N2OS/c1-14-6-8-19-17(12-14)15(2)22-18-13-16(7-9-20(18)25-19)21(24)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3

InChI Key

VXXXHMMLHXEFKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.21

Polar Surface Area

24.149

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C304-1189 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C304-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1189?
Check Price and Availability of C304-1189, 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 C304-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1189
  • 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 C304-1189 available by request