C304-0239 Screening compound: ethyl 4-{[(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C304-0239 Screening compound: ethyl 4-{[(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C304-0239 Screening compound: ethyl 4-{[(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0239
ethyl 4-{[(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

C304-0239

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

ethyl 4-{[(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-amido}piperidine-1-carboxylate

SMILES

CCC1=Nc(cc(cc2)C(NC(CC3)CCN3C(OCC)=O)=O)c2Sc2c1cccc2

InChI

InChI=1S/C24H27N3O3S/c1-3-19-18-7-5-6-8-21(18)31-22-10-9-16(15-20(22)26-19)23(28)25-17-11-13-27(14-12-17)24(29)30-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,25,28)

InChI Key

KJCHXRKAULUEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.20

Polar Surface Area

55.149

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C304-0239 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C304-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0239?
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What is the minimum amount of C304-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0239
  • 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 C304-0239 available by request