K781-0885 Screening compound: N~3~-[5-[(3,4-dimethoxyanilino)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

K781-0885 Screening compound: N~3~-[5-[(3,4-dimethoxyanilino)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
K781-0885 Screening compound: N~3~-[5-[(3,4-dimethoxyanilino)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 K781-0885
N~3~-[5-[(3,4-dimethoxyanilino)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

K781-0885

Molecular Formula

C36H32N4O7 (C36 H32 N4 O7)

Compound Name

N~3~-[5-[(3,4-dimethoxyanilino)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-[(34-dimethoxyphenyl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}-2-oxo-2H-chromene-3-carboxamide

SMILES

COc(ccc(NC(c(cc1)cc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1)c1OC

InChI

InChI=1S/C36H32N4O7/c1-45-31-13-11-25(17-32(31)46-2)37-34(42)23-10-12-29(39-18-21-14-24(20-39)28-7-5-9-33(41)40(28)19-21)27(16-23)38-35(43)26-15-22-6-3-4-8-30(22)47-36(26)44/h3-13,15-17,21,24H,14,18-20H2,1-2H3,(H,37,42)(H,38,43)

InChI Key

IRXMYSSXIKKXND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-4.53

Polar Surface Area

100.756

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

K781-0885 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K781-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0885?
Check Price and Availability of K781-0885, 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 K781-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0885
  • 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 K781-0885 available by request