L120-1544 Screening compound: 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)-6,6-dimethyl-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione

L120-1544 Screening compound: 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)-6,6-dimethyl-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione
L120-1544 Screening compound: 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)-6,6-dimethyl-2,3,5,6,7,8-hexahydroisoquinoline-3,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1544
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)-6,6-dimethyl-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

L120-1544

Molecular Formula

C28H34ClN3O3 (C28 H34 ClN3 O3)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)-66-dimethyl-235678-hexahydroisoquinoline-38-dione

SMILES

CC(C)(CC(C1=CN2c(cc3)ccc3Cl)=C(C(N(CC3)CCN3C3CCCCC3)=O)C2=O)CC1=O

InChI

InChI=1S/C28H34ClN3O3/c1-28(2)16-22-23(24(33)17-28)18-32(21-10-8-19(29)9-11-21)27(35)25(22)26(34)31-14-12-30(13-15-31)20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3

InChI Key

DNGNKMBDTDKBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.05

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

3.797

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-4.29

Polar Surface Area

48.936

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

L120-1544 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L120-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1544?
Check Price and Availability of L120-1544, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L120-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1544
  • 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 L120-1544 available by request