C304-2034 Screening compound: 2-bromo-N-cyclopentyl-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-2034 Screening compound: 2-bromo-N-cyclopentyl-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-2034 Screening compound: 2-bromo-N-cyclopentyl-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-2034
2-bromo-N-cyclopentyl-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

C304-2034

Molecular Formula

C20H19BrN2OS (C20 H19 BrN2 OS)

Compound Name

2-bromo-N-cyclopentyl-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-bromo-N-cyclopentyl-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(NC3CCCC3)=O)c2Sc(cc2)c1cc2Br

InChI

InChI=1S/C20H19BrN2OS/c1-12-16-11-14(21)7-9-18(16)25-19-8-6-13(10-17(19)22-12)20(24)23-15-4-2-3-5-15/h6-11,15H,2-5H2,1H3,(H,23,24)

InChI Key

KTJNGVCULMAPAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.34

Polar Surface Area

32.005

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C304-2034 in Drug Discovery

Included in Screening Libraries

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

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C304-2034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-2034?
Check Price and Availability of C304-2034, 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 C304-2034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-2034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-2034
  • 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 C304-2034 available by request