Y021-3521 Screening compound: [4-(4-chlorophenyl)-1,2,2,4-tetramethyl-1,2,3,4-tetrahydro-6-quinolinyl][4-(2-fluorophenyl)piperazino]methanethione

Y021-3521 Screening compound: [4-(4-chlorophenyl)-1,2,2,4-tetramethyl-1,2,3,4-tetrahydro-6-quinolinyl][4-(2-fluorophenyl)piperazino]methanethione
Y021-3521 Screening compound: [4-(4-chlorophenyl)-1,2,2,4-tetramethyl-1,2,3,4-tetrahydro-6-quinolinyl][4-(2-fluorophenyl)piperazino]methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-3521
[4-(4-chlorophenyl)-1,2,2,4-tetramethyl-1,2,3,4-tetrahydro-6-quinolinyl][4-(2-fluorophenyl)piperazino]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

Y021-3521

Molecular Formula

C30H33ClFN3S (C30 H33 ClFN3 S)

Compound Name

[4-(4-chlorophenyl)-1,2,2,4-tetramethyl-1,2,3,4-tetrahydro-6-quinolinyl][4-(2-fluorophenyl)piperazino]methanethione

IUPAC name

n/a

SMILES

CC(C)(CC1(C)c(cc2)ccc2Cl)N(C)c(cc2)c1cc2C(N(CC1)CCN1c(cccc1)c1F)=S

InChI

InChI=1S/C30H33ClFN3S/c1-29(2)20-30(3,22-10-12-23(31)13-11-22)24-19-21(9-14-26(24)33(29)4)28(36)35-17-15-34(16-18-35)27-8-6-5-7-25(27)32/h5-14,19H,15-18,20H2,1-4H3/t30-/m0/s1

InChI Key

BRGDAMSXCLMQJM-PMERELPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.13

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.491

Distribution Coefficient, logD

7.057

Water Solubility, LogSw

-6.61

Polar Surface Area

6.413

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with Y021-3521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-3521?
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What is the minimum amount of Y021-3521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-3521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-3521
  • 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 Y021-3521 available by request