K784-6484 Screening compound: N-(2,4-dichlorophenyl)-N'-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

K784-6484 Screening compound: N-(2,4-dichlorophenyl)-N'-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea
K784-6484 Screening compound: N-(2,4-dichlorophenyl)-N'-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6484
N-(2,4-dichlorophenyl)-N'-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

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

K784-6484

Molecular Formula

C32H33Cl2N5O4S (C32 H33 Cl2 N5 O4 S)

Compound Name

N-(2,4-dichlorophenyl)-N'-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

IUPAC name

1-(24-dichlorophenyl)-3-(5-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl)thiourea

SMILES

O=C(c(cc1)cc(NC(Nc(ccc(Cl)c2)c2Cl)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C32H33Cl2N5O4S/c33-23-5-6-25(24(34)16-23)35-31(44)36-26-15-21(30(41)37-10-8-32(9-11-37)42-12-13-43-32)4-7-28(26)38-17-20-14-22(19-38)27-2-1-3-29(40)39(27)18-20/h1-7,15-16,20,22H,8-14,17-19H2,(H2,35,36,44)

InChI Key

RTJHWAHGCSRPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

654.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

5.307

Water Solubility, LogSw

-5.94

Polar Surface Area

67.601

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

K784-6484 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-6484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6484?
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What is the minimum amount of K784-6484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6484
  • 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 K784-6484 available by request