C304-0596 Screening compound: ethyl 4-{[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C304-0596 Screening compound: ethyl 4-{[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C304-0596 Screening compound: ethyl 4-{[(2-chloro-11-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0596
ethyl 4-{[(2-chloro-11-methyldibenzo[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

C304-0596

Molecular Formula

C23H24ClN3O3S (C23 H24 ClN3 O3 S)

Compound Name

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

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-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc2c1Sc(ccc(Cl)c1)c1C(C)=N2)=O)=O

InChI

InChI=1S/C23H24ClN3O3S/c1-3-30-23(29)27-10-8-17(9-11-27)26-22(28)15-4-6-21-19(12-15)25-14(2)18-13-16(24)5-7-20(18)31-21/h4-7,12-13,17H,3,8-11H2,1-2H3,(H,26,28)

InChI Key

HWQMLBZVIVBKPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.86

Polar Surface Area

54.419

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C304-0596 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C304-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0596?
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What is the minimum amount of C304-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0596
  • 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 C304-0596 available by request