K781-1448 Screening compound: dimethyl 5-[(4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(Z)-3-phenyl-2-propenoyl]amino}benzoyl)amino]isophthalate

K781-1448 Screening compound: dimethyl 5-[(4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(Z)-3-phenyl-2-propenoyl]amino}benzoyl)amino]isophthalate
K781-1448 Screening compound: dimethyl 5-[(4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(Z)-3-phenyl-2-propenoyl]amino}benzoyl)amino]isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1448
dimethyl 5-[(4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(Z)-3-phenyl-2-propenoyl]amino}benzoyl)amino]isophthalate

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

K781-1448

Molecular Formula

C37H34N4O7 (C37 H34 N4 O7)

Compound Name

dimethyl 5-[(4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(Z)-3-phenyl-2-propenoyl]amino}benzoyl)amino]isophthalate

IUPAC name

13-dimethyl 5-(4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-[(2Z)-3-phenylprop-2-enamido]benzamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cc2)cc(NC(/C=C\c3ccccc3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(C(OC)=O)c1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.513

Distribution Coefficient, logD

6.482

Water Solubility, LogSw

-5.72

Polar Surface Area

106.708

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.60

K781-1448 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K781-1448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1448?
Check Price and Availability of K781-1448, 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 K781-1448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1448
  • 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 K781-1448 available by request