L120-1202 Screening compound: 6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-1202 Screening compound: 6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-1202 Screening compound: 6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-1202
6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-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

L120-1202

Molecular Formula

C27H28N2O3S (C27 H28 N2 O3 S)

Compound Name

6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

66-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-38-dioxo-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c3ccc(C)cc3)=C(C(NCc(cc3)ccc3SC)=O)C2=O)CC1=O

InChI

InChI=1S/C27H28N2O3S/c1-17-5-9-19(10-6-17)29-16-22-21(13-27(2,3)14-23(22)30)24(26(29)32)25(31)28-15-18-7-11-20(33-4)12-8-18/h5-12,16H,13-15H2,1-4H3,(H,28,31)

InChI Key

USKAQFFCWLGNCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.25

Polar Surface Area

53.608

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with L120-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-1202?
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What is the minimum amount of L120-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-1202
  • 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 L120-1202 available by request