K784-9060 Screening compound: N-[3-(methylsulfanyl)phenyl]-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]thiourea

K784-9060 Screening compound: N-[3-(methylsulfanyl)phenyl]-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]thiourea
K784-9060 Screening compound: N-[3-(methylsulfanyl)phenyl]-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9060
N-[3-(methylsulfanyl)phenyl]-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)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

K784-9060

Molecular Formula

C30H33N5O2S2 (C30 H33 N5 O2 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-N'-[2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-5-(1-pyrrolidinylcarbonyl)phenyl]thiourea

IUPAC name

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

SMILES

CSc1cccc(NC(Nc(cc(cc2)C(N3CCCC3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)c1

InChI

InChI=1S/C30H33N5O2S2/c1-39-24-7-4-6-23(16-24)31-30(38)32-25-15-21(29(37)33-12-2-3-13-33)10-11-27(25)34-17-20-14-22(19-34)26-8-5-9-28(36)35(26)18-20/h4-11,15-16,20,22H,2-3,12-14,17-19H2,1H3,(H2,31,32,38)

InChI Key

GQPAZISYZMQAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.05

Polar Surface Area

54.228

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

K784-9060 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-9060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9060?
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What is the minimum amount of K784-9060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9060
  • 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 K784-9060 available by request