K784-5786 Screening compound: 3-{[(4-chlorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide

K784-5786 Screening compound: 3-{[(4-chlorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide
K784-5786 Screening compound: 3-{[(4-chlorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5786
3-{[(4-chlorophenyl)sulfonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide

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

K784-5786

Molecular Formula

C32H31ClN4O4S (C32 H31 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NS(c(cc2)ccc2Cl)(=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCc1ccccc1

InChI

InChI=1S/C32H31ClN4O4S/c33-26-10-12-27(13-11-26)42(40,41)35-28-18-24(32(39)34-16-15-22-5-2-1-3-6-22)9-14-30(28)36-19-23-17-25(21-36)29-7-4-8-31(38)37(29)20-23/h1-14,18,23,25,35H,15-17,19-21H2,(H,34,39)

InChI Key

FBNZRWSXYBEHTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.14

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-5.76

Polar Surface Area

83.295

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

K784-5786 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 K784-5786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5786?
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What is the minimum amount of K784-5786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5786
  • 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 K784-5786 available by request