4261-0194 Screening compound: (5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

4261-0194 Screening compound: (5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
4261-0194 Screening compound: (5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4261-0194
(5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

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

4261-0194

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

(5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-1-acetyl-5-{[8-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

CC(N(/C(/C(N1)=O)=C\c2cc3cccc(C)c3nc2N2CCOCC2)C1=S)=O

InChI

InChI=1S/C20H20N4O3S/c1-12-4-3-5-14-10-15(11-16-19(26)22-20(28)24(16)13(2)25)18(21-17(12)14)23-6-8-27-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,22,26,28)

InChI Key

UOIHLXGAQWXLEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02998326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

-0.690

Water Solubility, LogSw

-3.22

Polar Surface Area

60.691

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4261-0194 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4261-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4261-0194?
Check Price and Availability of 4261-0194, 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 4261-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4261-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4261-0194
  • 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 4261-0194 available by request