Y021-2214 Screening compound: 2-[(1-benzoyl-2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

Y021-2214 Screening compound: 2-[(1-benzoyl-2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone
Y021-2214 Screening compound: 2-[(1-benzoyl-2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2214
2-[(1-benzoyl-2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

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

Y021-2214

Molecular Formula

C29H28N2O3 (C29 H28 N2 O3)

Compound Name

2-[(1-benzoyl-2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-(2,3-dihydro-1H-indol-1-yl)-1-ethanone

IUPAC name

2-[(1-benzoyl-224-trimethyl-12-dihydroquinolin-6-yl)oxy]-1-(23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC1(C)N(C(c2ccccc2)=O)c(ccc(OCC(N(CC2)c3c2cccc3)=O)c2)c2C(C)=C1

InChI

InChI=1S/C29H28N2O3/c1-20-18-29(2,3)31(28(33)22-10-5-4-6-11-22)26-14-13-23(17-24(20)26)34-19-27(32)30-16-15-21-9-7-8-12-25(21)30/h4-14,17-18H,15-16,19H2,1-3H3

InChI Key

FARNFWNKYHPKMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.17

Polar Surface Area

36.975

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

Y021-2214 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 Y021-2214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2214?
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What is the minimum amount of Y021-2214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2214
  • 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 Y021-2214 available by request