Y021-2224 Screening compound: (1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-6-quinolinyl)(morpholino)methanethione

Y021-2224 Screening compound: (1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-6-quinolinyl)(morpholino)methanethione
Y021-2224 Screening compound: (1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-6-quinolinyl)(morpholino)methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2224
(1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-6-quinolinyl)(morpholino)methanethione

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

Y021-2224

Molecular Formula

C24H30N2OS (C24 H30 N2 OS)

Compound Name

(1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydro-6-quinolinyl)(morpholino)methanethione

IUPAC name

1-benzyl-224-trimethyl-6-(morpholine-4-carbothioyl)-1234-tetrahydroquinoline

SMILES

CC1c(cc(cc2)C(N3CCOCC3)=S)c2N(Cc2ccccc2)C(C)(C)C1

InChI

InChI=1S/C24H30N2OS/c1-18-16-24(2,3)26(17-19-7-5-4-6-8-19)22-10-9-20(15-21(18)22)23(28)25-11-13-27-14-12-25/h4-10,15,18H,11-14,16-17H2,1-3H3/t18-/m0/s1

InChI Key

SFMZAWQIZZJKOB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30711948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.40

Polar Surface Area

11.597

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

Y021-2224 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 Y021-2224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2224?
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What is the minimum amount of Y021-2224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2224
  • 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 Y021-2224 available by request