K623-0012 Screening compound: N~1~-(3-acetylphenyl)-3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0012 Screening compound: N~1~-(3-acetylphenyl)-3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0012 Screening compound: N~1~-(3-acetylphenyl)-3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-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 K623-0012
N~1~-(3-acetylphenyl)-3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-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

K623-0012

Molecular Formula

C34H30ClFN4O4 (C34 H30 ClFN4 O4)

Compound Name

N~1~-(3-acetylphenyl)-3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-(3-acetylphenyl)-3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CC(c1cccc(NC(c(cc2)cc(NC(Cc(c(F)ccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)c1)=O

InChI

InChI=1S/C34H30ClFN4O4/c1-20(41)22-5-2-6-25(14-22)37-34(44)23-11-12-31(29(15-23)38-32(42)16-26-27(35)7-3-8-28(26)36)39-17-21-13-24(19-39)30-9-4-10-33(43)40(30)18-21/h2-12,14-15,21,24H,13,16-19H2,1H3,(H,37,44)(H,38,42)

InChI Key

YPICPNFUCNDHPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.95

Polar Surface Area

78.187

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

K623-0012 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0012?
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What is the minimum amount of K623-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0012
  • 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 K623-0012 available by request