L120-0905 Screening compound: N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

L120-0905 Screening compound: N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
L120-0905 Screening compound: N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L120-0905
N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-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

L120-0905

Molecular Formula

C23H19ClFN3O3 (C23 H19 ClFN3 O3)

Compound Name

N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide

IUPAC name

N-(2-chloropyridin-3-yl)-2-(4-fluorophenyl)-66-dimethyl-38-dioxo-235678-hexahydroisoquinoline-4-carboxamide

SMILES

CC(C)(CC(C1=CN2c(cc3)ccc3F)=C(C(Nc3cccnc3Cl)=O)C2=O)CC1=O

InChI

InChI=1S/C23H19ClFN3O3/c1-23(2)10-15-16(18(29)11-23)12-28(14-7-5-13(25)6-8-14)22(31)19(15)21(30)27-17-4-3-9-26-20(17)24/h3-9,12H,10-11H2,1-2H3,(H,27,30)

InChI Key

SYNKICDCEBFUBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-3.41

Polar Surface Area

61.273

Acid Dissociation Constant (pKa)

6.56

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L120-0905 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L120-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L120-0905?
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What is the minimum amount of L120-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L120-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L120-0905
  • 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 L120-0905 available by request