K623-0748 Screening compound: N~1~-(5-chloro-2-methylphenyl)-3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0748 Screening compound: N~1~-(5-chloro-2-methylphenyl)-3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0748 Screening compound: N~1~-(5-chloro-2-methylphenyl)-3-[(3-morpholinopropanoyl)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 K623-0748
N~1~-(5-chloro-2-methylphenyl)-3-[(3-morpholinopropanoyl)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

K623-0748

Molecular Formula

C32H36ClN5O4 (C32 H36 ClN5 O4)

Compound Name

N~1~-(5-chloro-2-methylphenyl)-3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-(5-chloro-2-methylphenyl)-3-[3-(morpholin-4-yl)propanamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

Cc(ccc(Cl)c1)c1NC(c(cc1)cc(NC(CCN2CCOCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H36ClN5O4/c1-21-5-7-25(33)17-26(21)35-32(41)23-6-8-29(27(16-23)34-30(39)9-10-36-11-13-42-14-12-36)37-18-22-15-24(20-37)28-3-2-4-31(40)38(28)19-22/h2-8,16-17,22,24H,9-15,18-20H2,1H3,(H,34,39)(H,35,41)

InChI Key

LWKDDPRYKHCHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.40

Polar Surface Area

75.553

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

K623-0748 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0748?
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What is the minimum amount of K623-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0748
  • 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 K623-0748 available by request