K623-0165 Screening compound: 3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[4-(trifluoromethoxy)phenyl]benzamide

K623-0165 Screening compound: 3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[4-(trifluoromethoxy)phenyl]benzamide
K623-0165 Screening compound: 3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[4-(trifluoromethoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0165
3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[4-(trifluoromethoxy)phenyl]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

K623-0165

Molecular Formula

C32H34F3N5O5 (C32 H34 F3 N5 O5)

Compound Name

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

IUPAC name

3-[3-(morpholin-4-yl)propanamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

SMILES

O=C(CCN1CCOCC1)Nc(cc(cc1)C(Nc(cc2)ccc2OC(F)(F)F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C32H34F3N5O5/c33-32(34,35)45-25-7-5-24(6-8-25)36-31(43)22-4-9-28(26(17-22)37-29(41)10-11-38-12-14-44-15-13-38)39-18-21-16-23(20-39)27-2-1-3-30(42)40(27)19-21/h1-9,17,21,23H,10-16,18-20H2,(H,36,43)(H,37,41)

InChI Key

WWWDZSKHUYSGDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

625.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.42

Polar Surface Area

82.188

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

K623-0165 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
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 K623-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0165?
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What is the minimum amount of K623-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0165
  • 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 K623-0165 available by request