C304-2176 Screening compound: 2-bromo-N~8~-(3-ethoxypropyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-2176 Screening compound: 2-bromo-N~8~-(3-ethoxypropyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-2176 Screening compound: 2-bromo-N~8~-(3-ethoxypropyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-2176
2-bromo-N~8~-(3-ethoxypropyl)-11-ethyldibenzo[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

C304-2176

Molecular Formula

C21H23BrN2O2S (C21 H23 BrN2 O2 S)

Compound Name

2-bromo-N~8~-(3-ethoxypropyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NCCCOCC)=O)c2Sc(cc2)c1cc2Br

InChI

InChI=1S/C21H23BrN2O2S/c1-3-17-16-13-15(22)7-9-19(16)27-20-8-6-14(12-18(20)24-17)21(25)23-10-5-11-26-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)

InChI Key

ANXOZKCBYCVCHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.59

Polar Surface Area

40.734

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C304-2176 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-2176?
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What is the minimum amount of C304-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-2176
  • 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 C304-2176 available by request