K623-0744 Screening compound: N~2~-[5-[(5-chloro-2-methylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

K623-0744 Screening compound: N~2~-[5-[(5-chloro-2-methylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide
K623-0744 Screening compound: N~2~-[5-[(5-chloro-2-methylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0744
N~2~-[5-[(5-chloro-2-methylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

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

K623-0744

Molecular Formula

C30H27ClN4O3S (C30 H27 ClN4 O3 S)

Compound Name

N~2~-[5-[(5-chloro-2-methylanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1NC(c(cc1)cc(NC(c2cccs2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C30H27ClN4O3S/c1-18-7-9-22(31)14-23(18)32-29(37)20-8-10-26(24(13-20)33-30(38)27-5-3-11-39-27)34-15-19-12-21(17-34)25-4-2-6-28(36)35(25)16-19/h2-11,13-14,19,21H,12,15-17H2,1H3,(H,32,37)(H,33,38)

InChI Key

CNRGJZIRGBKXMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.707

Water Solubility, LogSw

-6.01

Polar Surface Area

64.894

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

K623-0744 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 K623-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0744?
Check Price and Availability of K623-0744, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K623-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0744
  • 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 K623-0744 available by request