K623-0549 Screening compound: N~4~-[5-{[(2-methoxybenzyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

K623-0549 Screening compound: N~4~-[5-{[(2-methoxybenzyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide
K623-0549 Screening compound: N~4~-[5-{[(2-methoxybenzyl)amino]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 K623-0549
N~4~-[5-{[(2-methoxybenzyl)amino]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

K623-0549

Molecular Formula

C32H31N5O4 (C32 H31 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(c(cc2)cc(NC(c3ccncc3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cccc1

InChI

InChI=1S/C32H31N5O4/c1-41-29-7-3-2-5-24(29)17-34-31(39)23-9-10-28(26(16-23)35-32(40)22-11-13-33-14-12-22)36-18-21-15-25(20-36)27-6-4-8-30(38)37(27)19-21/h2-14,16,21,25H,15,17-20H2,1H3,(H,34,39)(H,35,40)

InChI Key

LDACDRRWABMZOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-4.03

Polar Surface Area

82.954

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

K623-0549 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 K623-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0549?
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What is the minimum amount of K623-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0549
  • 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 K623-0549 available by request