L120-1047 Screening compound: 4-(4-ethylpiperazine-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione

L120-1047 Screening compound: 4-(4-ethylpiperazine-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione
L120-1047 Screening compound: 4-(4-ethylpiperazine-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1047
4-(4-ethylpiperazine-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione

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

L120-1047

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

4-(4-ethylpiperazine-1-carbonyl)-6,6-dimethyl-2-(4-methylphenyl)-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione

IUPAC name

4-(4-ethylpiperazine-1-carbonyl)-66-dimethyl-2-(4-methylphenyl)-235678-hexahydroisoquinoline-38-dione

SMILES

CCN(CC1)CCN1C(C1=C(CC(C)(C)CC2=O)C2=CN(c2ccc(C)cc2)C1=O)=O

InChI

InChI=1S/C25H31N3O3/c1-5-26-10-12-27(13-11-26)23(30)22-19-14-25(3,4)15-21(29)20(19)16-28(24(22)31)18-8-6-17(2)7-9-18/h6-9,16H,5,10-15H2,1-4H3

InChI Key

HQHAEOKXRFOKEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.31

Polar Surface Area

49.379

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

L120-1047 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L120-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1047?
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What is the minimum amount of L120-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1047
  • 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 L120-1047 available by request