K623-0422 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-N~1~-ethyl-N~1~-(3-methylphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0422 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-N~1~-ethyl-N~1~-(3-methylphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0422 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-N~1~-ethyl-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 K623-0422
3-[(3,5-dimethoxybenzoyl)amino]-N~1~-ethyl-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

K623-0422

Molecular Formula

C36H38N4O5 (C36 H38 N4 O5)

Compound Name

3-[(3,5-dimethoxybenzoyl)amino]-N~1~-ethyl-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

3-(35-dimethoxybenzamido)-N-ethyl-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(c2cc(OC)cc(OC)c2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C36H38N4O5/c1-5-39(28-9-6-8-23(2)14-28)36(43)25-12-13-33(31(18-25)37-35(42)26-16-29(44-3)19-30(17-26)45-4)38-20-24-15-27(22-38)32-10-7-11-34(41)40(32)21-24/h6-14,16-19,24,27H,5,15,20-22H2,1-4H3,(H,37,42)

InChI Key

LOQURLMTSMHAKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.280

Distribution Coefficient, logD

6.270

Water Solubility, LogSw

-5.46

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.60

K623-0422 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 K623-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0422?
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What is the minimum amount of K623-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0422
  • 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 K623-0422 available by request