K623-0219 Screening compound: N-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

K623-0219 Screening compound: N-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide
K623-0219 Screening compound: N-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0219
N-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

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

K623-0219

Molecular Formula

C33H31N5O3 (C33 H31 N5 O3)

Compound Name

N-[5-[(allylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

IUPAC name

N-(2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-5-[phenyl(prop-2-en-1-yl)carbamoyl]phenyl)pyridine-4-carboxamide

SMILES

C=CCN(C(c(cc1)cc(NC(c2ccncc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1ccccc1

InChI

InChI=1S/C33H31N5O3/c1-2-17-37(27-7-4-3-5-8-27)33(41)25-11-12-30(28(19-25)35-32(40)24-13-15-34-16-14-24)36-20-23-18-26(22-36)29-9-6-10-31(39)38(29)21-23/h2-16,19,23,26H,1,17-18,20-22H2,(H,35,40)

InChI Key

UKCFZUHGRXTLPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.43

Polar Surface Area

66.511

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.21

K623-0219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with K623-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0219?
Check Price and Availability of K623-0219, 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 K623-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0219
  • 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 K623-0219 available by request