C791-0064 Screening compound: N-[3-(1,4'-bipiperidin-1'-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C791-0064 Screening compound: N-[3-(1,4'-bipiperidin-1'-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C791-0064 Screening compound: N-[3-(1,4'-bipiperidin-1'-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0064
N-[3-(1,4'-bipiperidin-1'-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

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

C791-0064

Molecular Formula

C27H34N4O2S (C27 H34 N4 O2 S)

Compound Name

N-[3-(1,4'-bipiperidin-1'-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-(3-{[14'-bipiperidin]-1'-yl}propyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1Sc(cccc1)c1C2=O)NCCCN(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C27H34N4O2S/c32-26(28-13-6-14-30-17-11-21(12-18-30)31-15-4-1-5-16-31)20-9-10-25-23(19-20)29-27(33)22-7-2-3-8-24(22)34-25/h2-3,7-10,19,21H,1,4-6,11-18H2,(H,28,32)(H,29,33)

InChI Key

SAVFOJHPVRSLGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

1.514

Water Solubility, LogSw

-3.94

Polar Surface Area

56.506

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C791-0064 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C791-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0064?
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What is the minimum amount of C791-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0064
  • 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 C791-0064 available by request