K784-5793 Screening compound: 3-{[(4-fluorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

K784-5793 Screening compound: 3-{[(4-fluorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide
K784-5793 Screening compound: 3-{[(4-fluorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5793
3-{[(4-fluorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)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

K784-5793

Molecular Formula

C29H31FN4O5S (C29 H31 FN4 O5 S)

Compound Name

3-{[(4-fluorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(tetrahydro-2-furanylmethyl)benzamide

IUPAC name

3-(4-fluorobenzenesulfonamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)cc(NS(c(cc2)ccc2F)(=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCC1OCCC1

InChI

InChI=1S/C29H31FN4O5S/c30-22-7-9-24(10-8-22)40(37,38)32-25-14-20(29(36)31-15-23-3-2-12-39-23)6-11-27(25)33-16-19-13-21(18-33)26-4-1-5-28(35)34(26)17-19/h1,4-11,14,19,21,23,32H,2-3,12-13,15-18H2,(H,31,36)

InChI Key

IOCZJQKKKXHATK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-3.76

Polar Surface Area

92.108

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.90

K784-5793 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-5793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5793?
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What is the minimum amount of K784-5793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5793
  • 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 K784-5793 available by request