Y021-0309 Screening compound: 1-(4-fluorophenyl)-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

Y021-0309 Screening compound: 1-(4-fluorophenyl)-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one
Y021-0309 Screening compound: 1-(4-fluorophenyl)-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0309
1-(4-fluorophenyl)-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-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

Y021-0309

Molecular Formula

C39H34FNO (C39 H34 FNO)

Compound Name

1-(4-fluorophenyl)-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

IUPAC name

1-(4-fluorophenyl)-2-[224-trimethyl-6-(triphenylmethyl)-12-dihydroquinolin-1-yl]ethan-1-one

SMILES

CC1(C)N(CC(c(cc2)ccc2F)=O)c(ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2)c2C(C)=C1

InChI

InChI=1S/C39H34FNO/c1-28-26-38(2,3)41(27-37(42)29-19-22-34(40)23-20-29)36-24-21-33(25-35(28)36)39(30-13-7-4-8-14-30,31-15-9-5-10-16-31)32-17-11-6-12-18-32/h4-26H,27H2,1-3H3

InChI Key

HFULWWYKYCRMEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.538

Distribution Coefficient, logD

9.538

Water Solubility, LogSw

-5.73

Polar Surface Area

14.172

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y021-0309 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 Y021-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0309?
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What is the minimum amount of Y021-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0309
  • 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 Y021-0309 available by request