4102-0221 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

4102-0221 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
4102-0221 Screening compound: (5Z)-5-{[7-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4102-0221
(5Z)-5-{[7-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

4102-0221

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

(5Z)-5-{[7-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{[7-methyl-2-(morpholin-4-yl)quinolin-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

Cc1ccc(cc(/C=C(/C(N2)=O)\NC2=S)c(N2CCOCC2)n2)c2c1

InChI

InChI=1S/C18H18N4O2S/c1-11-2-3-12-9-13(10-15-17(23)21-18(25)20-15)16(19-14(12)8-11)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H2,20,21,23,25)

InChI Key

DATYIIRNLBPVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.31

Polar Surface Area

55.919

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4102-0221 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 4102-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4102-0221?
Check Price and Availability of 4102-0221, 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 4102-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4102-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4102-0221
  • 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 4102-0221 available by request