K781-1280 Screening compound: N~1~-(4-ethoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(E)-3-phenyl-2-propenoyl]amino}benzamide

K781-1280 Screening compound: N~1~-(4-ethoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(E)-3-phenyl-2-propenoyl]amino}benzamide
K781-1280 Screening compound: N~1~-(4-ethoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(E)-3-phenyl-2-propenoyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1280
N~1~-(4-ethoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(E)-3-phenyl-2-propenoyl]amino}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

K781-1280

Molecular Formula

C35H34N4O4 (C35 H34 N4 O4)

Compound Name

N~1~-(4-ethoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(E)-3-phenyl-2-propenoyl]amino}benzamide

IUPAC name

N-(4-ethoxyphenyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-[(2E)-3-phenylprop-2-enamido]benzamide

SMILES

CCOc(cc1)ccc1NC(c(cc1)cc(NC(/C=C/c2ccccc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C35H34N4O4/c1-2-43-29-15-13-28(14-16-29)36-35(42)26-12-17-32(30(20-26)37-33(40)18-11-24-7-4-3-5-8-24)38-21-25-19-27(23-38)31-9-6-10-34(41)39(31)22-25/h3-18,20,25,27H,2,19,21-23H2,1H3,(H,36,42)(H,37,40)

InChI Key

YXUDBDNZFOTRPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.393

Distribution Coefficient, logD

6.362

Water Solubility, LogSw

-5.67

Polar Surface Area

71.484

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.90

K781-1280 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K781-1280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1280?
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What is the minimum amount of K781-1280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1280
  • 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 K781-1280 available by request