L485-3948 Screening compound: 3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile

L485-3948 Screening compound: 3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile
L485-3948 Screening compound: 3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L485-3948
3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile

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

L485-3948

Molecular Formula

C22H20N4O2S (C22 H20 N4 O2 S)

Compound Name

3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile

IUPAC name

3-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzonitrile

SMILES

COc(cccc1c(Nc2cc(C#N)ccc2)c2)c1nc2C(N1CCSCC1)=O

InChI

InChI=1S/C22H20N4O2S/c1-28-20-7-3-6-17-18(24-16-5-2-4-15(12-16)14-23)13-19(25-21(17)20)22(27)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,24,25)

InChI Key

UXRKHNBSYYGZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27456930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.32

Polar Surface Area

58.889

Acid Dissociation Constant (pKa)

18.28

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L485-3948 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L485-3948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L485-3948?
Check Price and Availability of L485-3948, 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 L485-3948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L485-3948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L485-3948
  • 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 L485-3948 available by request