K781-1793 Screening compound: N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

K781-1793 Screening compound: N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide
K781-1793 Screening compound: N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1793
N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

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

K781-1793

Molecular Formula

C37H36F2N4O3 (C37 H36 F2 N4 O3)

Compound Name

N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

IUPAC name

N-[5-(4-benzylpiperidine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]-26-difluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1F)Nc(cc(cc1)C(N2CCC(Cc3ccccc3)CC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C37H36F2N4O3/c38-29-8-4-9-30(39)35(29)36(45)40-31-20-27(37(46)41-16-14-25(15-17-41)18-24-6-2-1-3-7-24)12-13-33(31)42-21-26-19-28(23-42)32-10-5-11-34(44)43(32)22-26/h1-13,20,25-26,28H,14-19,21-23H2,(H,40,45)

InChI Key

WJLTXUXCBMXXAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.505

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-6.21

Polar Surface Area

57.859

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

K781-1793 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1793?
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What is the minimum amount of K781-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1793
  • 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 K781-1793 available by request