K781-1501 Screening compound: N~1~-[5-{[benzyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

K781-1501 Screening compound: N~1~-[5-{[benzyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide
K781-1501 Screening compound: N~1~-[5-{[benzyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1501
N~1~-[5-{[benzyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

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

K781-1501

Molecular Formula

C33H30F2N4O3 (C33 H30 F2 N4 O3)

Compound Name

N~1~-[5-{[benzyl(methyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2,6-difluorobenzamide

IUPAC name

N-benzyl-3-(26-difluorobenzamido)-N-methyl-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CN(Cc1ccccc1)C(c(cc1)cc(NC(c(c(F)ccc2)c2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C33H30F2N4O3/c1-37(17-21-7-3-2-4-8-21)33(42)23-13-14-29(27(16-23)36-32(41)31-25(34)9-5-10-26(31)35)38-18-22-15-24(20-38)28-11-6-12-30(40)39(28)19-22/h2-14,16,22,24H,15,17-20H2,1H3,(H,36,41)

InChI Key

ZMHBZVUHYISUBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-5.39

Polar Surface Area

57.633

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K781-1501 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1501?
Check Price and Availability of K781-1501, 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 K781-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1501
  • 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 K781-1501 available by request