K623-0716 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-[5-[(3-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]acetamide

K623-0716 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-[5-[(3-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]acetamide
K623-0716 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-[5-[(3-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0716
2-(2-chloro-6-fluorophenyl)-N~1~-[5-[(3-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]acetamide

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

K623-0716

Molecular Formula

C32H34ClFN4O3 (C32 H34 ClFN4 O3)

Compound Name

2-(2-chloro-6-fluorophenyl)-N~1~-[5-[(3-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-[5-(3-methylpiperidine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]acetamide

SMILES

CC(CCC1)CN1C(c(cc1)cc(NC(Cc(c(F)ccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H34ClFN4O3/c1-20-5-4-12-36(16-20)32(41)22-10-11-29(27(14-22)35-30(39)15-24-25(33)6-2-7-26(24)34)37-17-21-13-23(19-37)28-8-3-9-31(40)38(28)18-21/h2-3,6-11,14,20-21,23H,4-5,12-13,15-19H2,1H3,(H,35,39)

InChI Key

VYKFFWMSFQCQGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-5.54

Polar Surface Area

57.851

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.60

K623-0716 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0716?
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What is the minimum amount of K623-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0716
  • 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 K623-0716 available by request