K784-8017 Screening compound: N~1~-(4-chlorophenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-8017 Screening compound: N~1~-(4-chlorophenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-8017 Screening compound: N~1~-(4-chlorophenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8017
N~1~-(4-chlorophenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K784-8017

Molecular Formula

C35H36ClN5O3 (C35 H36 ClN5 O3)

Compound Name

N~1~-(4-chlorophenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-{[(4-ethylphenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(NCCc(cc2)ccc2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C35H36ClN5O3/c1-2-23-8-13-29(14-9-23)38-35(44)39-30-19-26(34(43)37-17-16-24-6-11-28(36)12-7-24)10-15-32(30)40-20-25-18-27(22-40)31-4-3-5-33(42)41(31)21-25/h3-15,19,25,27H,2,16-18,20-22H2,1H3,(H,37,43)(H2,38,39,44)

InChI Key

FYGNWDUAEQSQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.821

Distribution Coefficient, logD

6.820

Water Solubility, LogSw

-6.38

Polar Surface Area

74.949

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K784-8017 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • 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 K784-8017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8017?
Check Price and Availability of K784-8017, 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 K784-8017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8017
  • 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 K784-8017 available by request