Y021-2849 Screening compound: 1-pyrrolidinyl(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydro-8-quinolinyl)methanone

Y021-2849 Screening compound: 1-pyrrolidinyl(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydro-8-quinolinyl)methanone
Y021-2849 Screening compound: 1-pyrrolidinyl(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydro-8-quinolinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2849
1-pyrrolidinyl(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydro-8-quinolinyl)methanone

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

Y021-2849

Molecular Formula

C24H30N2O (C24 H30 N2 O)

Compound Name

1-pyrrolidinyl(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydro-8-quinolinyl)methanone

IUPAC name

2246-tetramethyl-4-phenyl-8-(pyrrolidine-1-carbonyl)-1234-tetrahydroquinoline

SMILES

CC(C)(CC(C)(c1ccccc1)c1cc(C)c2)Nc1c2C(N1CCCC1)=O

InChI

InChI=1S/C24H30N2O/c1-17-14-19(22(27)26-12-8-9-13-26)21-20(15-17)24(4,16-23(2,3)25-21)18-10-6-5-7-11-18/h5-7,10-11,14-15,25H,8-9,12-13,16H2,1-4H3/t24-/m0/s1

InChI Key

RXVCMSKVJHACSQ-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.32

Polar Surface Area

25.928

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

Y021-2849 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 Y021-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2849?
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What is the minimum amount of Y021-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2849
  • 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 Y021-2849 available by request