K781-1673 Screening compound: (E)-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-phenyl-2-propenamide

K781-1673 Screening compound: (E)-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-phenyl-2-propenamide
K781-1673 Screening compound: (E)-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-phenyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1673
(E)-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-phenyl-2-propenamide

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

K781-1673

Molecular Formula

C38H39N5O4 (C38 H39 N5 O4)

Compound Name

(E)-N~1~-[5-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-phenyl-2-propenamide

IUPAC name

(2E)-N-{5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}-3-phenylprop-2-enamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(c(cc1)cc(NC(/C=C/c2ccccc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C38H39N5O4/c1-47-35-12-6-5-10-34(35)40-18-20-41(21-19-40)38(46)29-15-16-33(31(23-29)39-36(44)17-14-27-8-3-2-4-9-27)42-24-28-22-30(26-42)32-11-7-13-37(45)43(32)25-28/h2-17,23,28,30H,18-22,24-26H2,1H3,(H,39,44)

InChI Key

DAYYBIYNEKEBRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.657

Distribution Coefficient, logD

5.656

Water Solubility, LogSw

-5.46

Polar Surface Area

68.507

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.90

K781-1673 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-1673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1673?
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What is the minimum amount of K781-1673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1673
  • 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 K781-1673 available by request