C791-0074 Screening compound: ethyl 1-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]-3-piperidinecarboxylate

C791-0074 Screening compound: ethyl 1-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]-3-piperidinecarboxylate
C791-0074 Screening compound: ethyl 1-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0074
ethyl 1-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]-3-piperidinecarboxylate

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

C791-0074

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

ethyl 1-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-{10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c(cc1)cc(N2)c1Sc(cccc1)c1C2=O)=O)=O

InChI

InChI=1S/C22H22N2O4S/c1-2-28-22(27)15-6-5-11-24(13-15)21(26)14-9-10-19-17(12-14)23-20(25)16-7-3-4-8-18(16)29-19/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,23,25)/t15-/m0/s1

InChI Key

SNLNATYWCYSBCR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14795568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.68

Polar Surface Area

62.511

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C791-0074 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C791-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0074?
Check Price and Availability of C791-0074, 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 C791-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0074
  • 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 C791-0074 available by request