K781-1970 Screening compound: N~3~-[5-{[(3-morpholinopropyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

K781-1970 Screening compound: N~3~-[5-{[(3-morpholinopropyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide
K781-1970 Screening compound: N~3~-[5-{[(3-morpholinopropyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1970
N~3~-[5-{[(3-morpholinopropyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-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

K781-1970

Molecular Formula

C35H37N5O6 (C35 H37 N5 O6)

Compound Name

N~3~-[5-{[(3-morpholinopropyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(5-{[3-(morpholin-4-yl)propyl]carbamoyl}-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl)-2-oxo-2H-chromene-3-carboxamide

SMILES

O=C(c(cc1)cc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCCN1CCOCC1

InChI

InChI=1S/C35H37N5O6/c41-32-8-3-6-29-26-17-23(21-40(29)32)20-39(22-26)30-10-9-25(33(42)36-11-4-12-38-13-15-45-16-14-38)19-28(30)37-34(43)27-18-24-5-1-2-7-31(24)46-35(27)44/h1-3,5-10,18-19,23,26H,4,11-17,20-22H2,(H,36,42)(H,37,43)

InChI Key

NWRQIMAZJCZCOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.57

Polar Surface Area

98.550

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.10

K781-1970 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-1970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1970?
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What is the minimum amount of K781-1970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1970
  • 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 K781-1970 available by request