C304-0652 Screening compound: N~8~-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0652 Screening compound: N~8~-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0652 Screening compound: N~8~-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0652
N~8~-{2-[butyl(ethyl)amino]ethyl}-2-chloro-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

C304-0652

Molecular Formula

C23H28ClN3OS (C23 H28 ClN3 OS)

Compound Name

N~8~-{2-[butyl(ethyl)amino]ethyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCCCN(CC)CCNC(c(cc1)cc2c1Sc(ccc(Cl)c1)c1C(C)=N2)=O

InChI

InChI=1S/C23H28ClN3OS/c1-4-6-12-27(5-2)13-11-25-23(28)17-7-9-22-20(14-17)26-16(3)19-15-18(24)8-10-21(19)29-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,28)

InChI Key

RNZKDVQXUKCBNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.531

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-5.75

Polar Surface Area

35.691

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C304-0652 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0652?
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What is the minimum amount of C304-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0652
  • 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 C304-0652 available by request