K623-0259 Screening compound: N~1~-benzyl-3-[(4-fluorobenzoyl)amino]-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0259 Screening compound: N~1~-benzyl-3-[(4-fluorobenzoyl)amino]-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0259 Screening compound: N~1~-benzyl-3-[(4-fluorobenzoyl)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 K623-0259
N~1~-benzyl-3-[(4-fluorobenzoyl)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

K623-0259

Molecular Formula

C33H31FN4O3 (C33 H31 FN4 O3)

Compound Name

N~1~-benzyl-3-[(4-fluorobenzoyl)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-fluorobenzamido)-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)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C33H31FN4O3/c1-36(18-22-6-3-2-4-7-22)33(41)25-12-15-30(28(17-25)35-32(40)24-10-13-27(34)14-11-24)37-19-23-16-26(21-37)29-8-5-9-31(39)38(29)20-23/h2-15,17,23,26H,16,18-21H2,1H3,(H,35,40)

InChI Key

NNDMZESNVLTWET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.63

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

5.077

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.87

Polar Surface Area

57.633

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K623-0259 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0259?
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What is the minimum amount of K623-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0259
  • 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 K623-0259 available by request