C304-0684 Screening compound: ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

C304-0684 Screening compound: ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
C304-0684 Screening compound: ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0684
ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

C304-0684

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

ethyl 4-[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{13-chloro-10-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc2c1Sc(ccc(Cl)c1)c1C(C)=N2)=O)=O

InChI

InChI=1S/C22H22ClN3O3S/c1-3-29-22(28)26-10-8-25(9-11-26)21(27)15-4-6-20-18(12-15)24-14(2)17-13-16(23)5-7-19(17)30-20/h4-7,12-13H,3,8-11H2,1-2H3

InChI Key

FXBWFCIAUDVWIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.53

Polar Surface Area

46.929

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C304-0684 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C304-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0684?
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What is the minimum amount of C304-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0684
  • 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 C304-0684 available by request