K623-0385 Screening compound: N~1~-(4-ethoxyphenyl)-3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0385 Screening compound: N~1~-(4-ethoxyphenyl)-3-[(3-morpholinopropanoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0385 Screening compound: N~1~-(4-ethoxyphenyl)-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 K623-0385
N~1~-(4-ethoxyphenyl)-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

K623-0385

Molecular Formula

C33H39N5O5 (C33 H39 N5 O5)

Compound Name

N~1~-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-3-[3-(morpholin-4-yl)propanamido]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCOc(cc1)ccc1NC(c(cc1)cc(NC(CCN2CCOCC2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C33H39N5O5/c1-2-43-27-9-7-26(8-10-27)34-33(41)24-6-11-30(28(19-24)35-31(39)12-13-36-14-16-42-17-15-36)37-20-23-18-25(22-37)29-4-3-5-32(40)38(29)21-23/h3-11,19,23,25H,2,12-18,20-22H2,1H3,(H,34,41)(H,35,39)

InChI Key

AFIIZPQSUHPHLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.7

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

3.524

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.76

Polar Surface Area

83.375

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.40

K623-0385 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K623-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0385?
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What is the minimum amount of K623-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0385
  • 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 K623-0385 available by request