K623-0545 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0545 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0545 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(2-methoxybenzyl)-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 K623-0545
3-[(4-fluorobenzoyl)amino]-N~1~-(2-methoxybenzyl)-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

K623-0545

Molecular Formula

C33H31FN4O4 (C33 H31 FN4 O4)

Compound Name

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

IUPAC name

3-(4-fluorobenzamido)-N-[(2-methoxyphenyl)methyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc1c(CNC(c(cc2)cc(NC(c(cc3)ccc3F)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cccc1

InChI

InChI=1S/C33H31FN4O4/c1-42-30-7-3-2-5-24(30)17-35-32(40)23-11-14-29(27(16-23)36-33(41)22-9-12-26(34)13-10-22)37-18-21-15-25(20-37)28-6-4-8-31(39)38(28)19-21/h2-14,16,21,25H,15,17-20H2,1H3,(H,35,40)(H,36,41)

InChI Key

KHEKGQVTXDZMKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-5.07

Polar Surface Area

73.526

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K623-0545 in Drug Discovery

Included in Screening Libraries

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:
  • 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 K623-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0545?
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What is the minimum amount of K623-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0545
  • 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 K623-0545 available by request