5645-0184 Screening compound: 2-[4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarbothioamide

5645-0184 Screening compound: 2-[4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarbothioamide
5645-0184 Screening compound: 2-[4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0184
2-[4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarbothioamide

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

5645-0184

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

2-[4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]-1-hydrazinecarbothioamide

IUPAC name

{[(3E)-91111-trimethyl-2-oxo-9-phenyl-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-3-ylidene]amino}thiourea

SMILES

CC(C)(CC(C)(c1ccccc1)c1cccc(/C2=N\NC(N)=S)c11)N1C2=O

InChI

InChI=1S/C21H22N4OS/c1-20(2)12-21(3,13-8-5-4-6-9-13)15-11-7-10-14-16(23-24-19(22)27)18(26)25(20)17(14)15/h4-11H,12H2,1-3H3,(H3,22,24,27)/t21-/m0/s1

InChI Key

KCQWEMJSGSNCTJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03691681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.21

Polar Surface Area

56.796

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5645-0184 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5645-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0184?
Check Price and Availability of 5645-0184, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5645-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0184
  • 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 5645-0184 available by request