K623-0779 Screening compound: 5-bromo-N~2~-[5-{[2-(methylsulfanyl)anilino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

K623-0779 Screening compound: 5-bromo-N~2~-[5-{[2-(methylsulfanyl)anilino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide
K623-0779 Screening compound: 5-bromo-N~2~-[5-{[2-(methylsulfanyl)anilino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0779
5-bromo-N~2~-[5-{[2-(methylsulfanyl)anilino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

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

K623-0779

Molecular Formula

C30H27BrN4O4S (C30 H27 BrN4 O4 S)

Compound Name

5-bromo-N~2~-[5-{[2-(methylsulfanyl)anilino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-furamide

IUPAC name

5-bromo-N-(5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl)furan-2-carboxamide

SMILES

CSc(cccc1)c1NC(c(cc1)cc(NC(c(o2)ccc2Br)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C30H27BrN4O4S/c1-40-26-7-3-2-5-21(26)32-29(37)19-9-10-24(22(14-19)33-30(38)25-11-12-27(31)39-25)34-15-18-13-20(17-34)23-6-4-8-28(36)35(23)16-18/h2-12,14,18,20H,13,15-17H2,1H3,(H,32,37)(H,33,38)

InChI Key

XOEQYEWBRPXDHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-5.46

Polar Surface Area

72.802

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

K623-0779 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with K623-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0779?
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What is the minimum amount of K623-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0779
  • 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 K623-0779 available by request