C304-0834 Screening compound: ethyl 4-{[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

C304-0834 Screening compound: ethyl 4-{[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
C304-0834 Screening compound: ethyl 4-{[(2-chloro-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0834
ethyl 4-{[(2-chloro-11-propyldibenzo[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

C304-0834

Molecular Formula

C25H28ClN3O3S (C25 H28 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC1=Nc(cc(cc2)C(NC(CC3)CCN3C(OCC)=O)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C25H28ClN3O3S/c1-3-5-20-19-15-17(26)7-9-22(19)33-23-8-6-16(14-21(23)28-20)24(30)27-18-10-12-29(13-11-18)25(31)32-4-2/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,27,30)

InChI Key

GOBWQQMJLJSUAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.786

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-5.85

Polar Surface Area

55.149

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C304-0834 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C304-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0834?
Check Price and Availability of C304-0834, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C304-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0834
  • 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 C304-0834 available by request