K784-8692 Screening compound: N-(4-chlorophenyl)-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]urea

K784-8692 Screening compound: N-(4-chlorophenyl)-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]urea
K784-8692 Screening compound: N-(4-chlorophenyl)-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8692
N-(4-chlorophenyl)-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]urea

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

K784-8692

Molecular Formula

C29H30ClN5O3 (C29 H30 ClN5 O3)

Compound Name

N-(4-chlorophenyl)-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]urea

IUPAC name

1-(4-chlorophenyl)-3-(2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-5-(pyrrolidine-1-carbonyl)phenyl)urea

SMILES

O=C(c(cc1)cc(NC(Nc(cc2)ccc2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)N1CCCC1

InChI

InChI=1S/C29H30ClN5O3/c30-22-7-9-23(10-8-22)31-29(38)32-24-15-20(28(37)33-12-1-2-13-33)6-11-26(24)34-16-19-14-21(18-34)25-4-3-5-27(36)35(25)17-19/h3-11,15,19,21H,1-2,12-14,16-18H2,(H2,31,32,38)

InChI Key

DRCZFBMCXHXGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-5.30

Polar Surface Area

67.708

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

K784-8692 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

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:
  • Cancer
  • Nervous system
  • 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 K784-8692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8692?
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What is the minimum amount of K784-8692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8692
  • 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 K784-8692 available by request