Y021-1381 Screening compound: 1-[(4-fluorophenyl)sulfonyl]-2,2,4,6-tetramethyl-1,2-dihydroquinoline

Y021-1381 Screening compound: 1-[(4-fluorophenyl)sulfonyl]-2,2,4,6-tetramethyl-1,2-dihydroquinoline
Y021-1381 Screening compound: 1-[(4-fluorophenyl)sulfonyl]-2,2,4,6-tetramethyl-1,2-dihydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1381
1-[(4-fluorophenyl)sulfonyl]-2,2,4,6-tetramethyl-1,2-dihydroquinoline

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

Y021-1381

Molecular Formula

C19H20FNO2S (C19 H20 FNO2 S)

Compound Name

1-[(4-fluorophenyl)sulfonyl]-2,2,4,6-tetramethyl-1,2-dihydroquinoline

IUPAC name

1-(4-fluorobenzenesulfonyl)-2246-tetramethyl-12-dihydroquinoline

SMILES

CC(C)(C=C(C)c1c2ccc(C)c1)N2S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C19H20FNO2S/c1-13-5-10-18-17(11-13)14(2)12-19(3,4)21(18)24(22,23)16-8-6-15(20)7-9-16/h5-12H,1-4H3

InChI Key

JQLBGTXUVGMJRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.80

Polar Surface Area

30.941

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-11.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y021-1381 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1381?
Check Price and Availability of Y021-1381, 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 Y021-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1381
  • 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 Y021-1381 available by request