K623-0711 Screening compound: N~2~-[5-[(2-fluoroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

K623-0711 Screening compound: N~2~-[5-[(2-fluoroanilino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide
K623-0711 Screening compound: N~2~-[5-[(2-fluoroanilino)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 K623-0711
N~2~-[5-[(2-fluoroanilino)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

K623-0711

Molecular Formula

C29H25FN4O3S (C29 H25 FN4 O3 S)

Compound Name

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

SMILES

O=C(c1cccs1)Nc(cc(cc1)C(Nc(cccc2)c2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C29H25FN4O3S/c30-21-5-1-2-6-22(21)31-28(36)19-10-11-25(23(14-19)32-29(37)26-8-4-12-38-26)33-15-18-13-20(17-33)24-7-3-9-27(35)34(24)16-18/h1-12,14,18,20H,13,15-17H2,(H,31,36)(H,32,37)

InChI Key

NMSQKTVSQNJMCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.61

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

5.133

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-5.42

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

20.70

K623-0711 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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

References: we are preparing a list of scientific research reports with K623-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0711?
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What is the minimum amount of K623-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0711
  • 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 K623-0711 available by request