K781-1789 Screening compound: (E)-N~1~-{2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-[(4-phenylpiperazino)carbonyl]phenyl}-3-phenyl-2-propenamide

K781-1789 Screening compound: (E)-N~1~-{2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-[(4-phenylpiperazino)carbonyl]phenyl}-3-phenyl-2-propenamide
K781-1789 Screening compound: (E)-N~1~-{2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-[(4-phenylpiperazino)carbonyl]phenyl}-3-phenyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1789
(E)-N~1~-{2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-[(4-phenylpiperazino)carbonyl]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

K781-1789

Molecular Formula

C37H37N5O3 (C37 H37 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c1ccccc1)Nc(cc(cc1)C(N(CC2)CCN2c2ccccc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C37H37N5O3/c43-35(17-14-27-8-3-1-4-9-27)38-32-23-29(37(45)40-20-18-39(19-21-40)31-10-5-2-6-11-31)15-16-34(32)41-24-28-22-30(26-41)33-12-7-13-36(44)42(33)25-28/h1-17,23,28,30H,18-22,24-26H2,(H,38,43)

InChI Key

DCUIMOODWDVMNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.657

Distribution Coefficient, logD

5.655

Water Solubility, LogSw

-5.92

Polar Surface Area

61.177

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.00

K781-1789 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1789?
Check Price and Availability of K781-1789, 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 K781-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1789
  • 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 K781-1789 available by request