K781-1492 Screening compound: 2,6-difluoro-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]carbonyl}phenyl)benzamide

K781-1492 Screening compound: 2,6-difluoro-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]carbonyl}phenyl)benzamide
K781-1492 Screening compound: 2,6-difluoro-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]carbonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1492
2,6-difluoro-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]carbonyl}phenyl)benzamide

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

K781-1492

Molecular Formula

C36H32F2N4O3 (C36 H32 F2 N4 O3)

Compound Name

2,6-difluoro-N~1~-(2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-{[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]carbonyl}phenyl)benzamide

IUPAC name

26-difluoro-N-(2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-5-(4-phenyl-1236-tetrahydropyridine-1-carbonyl)phenyl)benzamide

SMILES

O=C(c(c(F)ccc1)c1F)Nc(cc(cc1)C(N(CC2)CC=C2c2ccccc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C36H32F2N4O3/c37-28-8-4-9-29(38)34(28)35(44)39-30-19-26(36(45)40-16-14-25(15-17-40)24-6-2-1-3-7-24)12-13-32(30)41-20-23-18-27(22-41)31-10-5-11-33(43)42(31)21-23/h1-14,19,23,27H,15-18,20-22H2,(H,39,44)

InChI Key

IWFNWVMYKOOUPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-6.15

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

25.00

K781-1492 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1492?
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What is the minimum amount of K781-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1492
  • 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 K781-1492 available by request