K781-0683 Screening compound: N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

K781-0683 Screening compound: N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide
K781-0683 Screening compound: N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0683
N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

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

K781-0683

Molecular Formula

C34H33ClN4O6 (C34 H33 ClN4 O6)

Compound Name

N~1~-[5-[(4-chloroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-(4-chlorophenyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-3-(345-trimethoxybenzamido)benzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(Nc(cc3)ccc3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C34H33ClN4O6/c1-43-29-15-22(16-30(44-2)32(29)45-3)34(42)37-26-14-21(33(41)36-25-10-8-24(35)9-11-25)7-12-28(26)38-17-20-13-23(19-38)27-5-4-6-31(40)39(27)18-20/h4-12,14-16,20,23H,13,17-19H2,1-3H3,(H,36,41)(H,37,42)

InChI Key

XXPLIBZSHKTSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.11

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.618

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-6.02

Polar Surface Area

87.551

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K781-0683 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0683?
Check Price and Availability of K781-0683, 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 K781-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0683
  • 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 K781-0683 available by request