L120-1561 Screening compound: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-1561 Screening compound: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-1561 Screening compound: 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1561
2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

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

L120-1561

Molecular Formula

C27H27ClN2O5 (C27 H27 ClN2 O5)

Compound Name

2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

2-(4-chlorophenyl)-N-[(25-dimethoxyphenyl)methyl]-66-dimethyl-38-dioxo-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c(cc3)ccc3Cl)=C(C(NCc(cc(cc3)OC)c3OC)=O)C2=O)CC1=O

InChI

InChI=1S/C27H27ClN2O5/c1-27(2)12-20-21(22(31)13-27)15-30(18-7-5-17(28)6-8-18)26(33)24(20)25(32)29-14-16-11-19(34-3)9-10-23(16)35-4/h5-11,15H,12-14H2,1-4H3,(H,29,32)

InChI Key

HMQKVDBAYBXECL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.42

Polar Surface Area

68.782

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with L120-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1561?
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What is the minimum amount of L120-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1561
  • 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 L120-1561 available by request