K623-0424 Screening compound: N~1~-ethyl-3-[(4-fluorobenzoyl)amino]-N~1~-(3-methylphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0424 Screening compound: N~1~-ethyl-3-[(4-fluorobenzoyl)amino]-N~1~-(3-methylphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0424 Screening compound: N~1~-ethyl-3-[(4-fluorobenzoyl)amino]-N~1~-(3-methylphenyl)-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 K623-0424
N~1~-ethyl-3-[(4-fluorobenzoyl)amino]-N~1~-(3-methylphenyl)-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

K623-0424

Molecular Formula

C34H33FN4O3 (C34 H33 FN4 O3)

Compound Name

N~1~-ethyl-3-[(4-fluorobenzoyl)amino]-N~1~-(3-methylphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-ethyl-3-(4-fluorobenzamido)-N-(3-methylphenyl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCN(C(c(cc1)cc(NC(c(cc2)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C34H33FN4O3/c1-3-38(28-7-4-6-22(2)16-28)34(42)25-12-15-31(29(18-25)36-33(41)24-10-13-27(35)14-11-24)37-19-23-17-26(21-37)30-8-5-9-32(40)39(30)20-23/h4-16,18,23,26H,3,17,19-21H2,1-2H3,(H,36,41)

InChI Key

HNPVDPARVXNDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.66

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

6.044

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.47

Polar Surface Area

56.830

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K623-0424 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 K623-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0424?
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What is the minimum amount of K623-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0424
  • 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 K623-0424 available by request