K623-0261 Screening compound: N~1~-benzyl-3-[(4-methoxybenzoyl)amino]-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0261 Screening compound: N~1~-benzyl-3-[(4-methoxybenzoyl)amino]-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0261 Screening compound: N~1~-benzyl-3-[(4-methoxybenzoyl)amino]-N~1~-methyl-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 K623-0261
N~1~-benzyl-3-[(4-methoxybenzoyl)amino]-N~1~-methyl-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

K623-0261

Molecular Formula

C34H34N4O4 (C34 H34 N4 O4)

Compound Name

N~1~-benzyl-3-[(4-methoxybenzoyl)amino]-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-benzyl-3-(4-methoxybenzamido)-N-methyl-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CN(Cc1ccccc1)C(c(cc1)cc(NC(c(cc2)ccc2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C34H34N4O4/c1-36(19-23-7-4-3-5-8-23)34(41)26-13-16-31(29(18-26)35-33(40)25-11-14-28(42-2)15-12-25)37-20-24-17-27(22-37)30-9-6-10-32(39)38(30)21-24/h3-16,18,24,27H,17,19-22H2,1-2H3,(H,35,40)

InChI Key

FCVPPJQJERJDJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.67

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

5.030

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.69

Polar Surface Area

65.176

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K623-0261 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 K623-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0261?
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What is the minimum amount of K623-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0261
  • 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 K623-0261 available by request