K623-0771 Screening compound: 3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-N~1~-[2-(methylsulfanyl)phenyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0771 Screening compound: 3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-N~1~-[2-(methylsulfanyl)phenyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0771 Screening compound: 3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-N~1~-[2-(methylsulfanyl)phenyl]-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 K623-0771
3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-N~1~-[2-(methylsulfanyl)phenyl]-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

K623-0771

Molecular Formula

C33H30ClFN4O3S (C33 H30 ClFN4 O3 S)

Compound Name

3-{[2-(2-chloro-6-fluorophenyl)acetyl]amino}-N~1~-[2-(methylsulfanyl)phenyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-[2-(methylsulfanyl)phenyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CSc(cccc1)c1NC(c(cc1)cc(NC(Cc(c(F)ccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C33H30ClFN4O3S/c1-43-30-10-3-2-8-26(30)37-33(42)21-12-13-29(27(15-21)36-31(40)16-23-24(34)6-4-7-25(23)35)38-17-20-14-22(19-38)28-9-5-11-32(41)39(28)18-20/h2-13,15,20,22H,14,16-19H2,1H3,(H,36,40)(H,37,42)

InChI Key

TWOGVCRXJXUCTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.994

Distribution Coefficient, logD

5.889

Water Solubility, LogSw

-6.03

Polar Surface Area

63.662

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.20

K623-0771 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 K623-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0771?
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What is the minimum amount of K623-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0771
  • 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 K623-0771 available by request