L392-1951 Screening compound: 2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

L392-1951 Screening compound: 2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
L392-1951 Screening compound: 2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-1951
2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

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

L392-1951

Molecular Formula

C27H29F3N4O2 (C27 H29 F3 N4 O2)

Compound Name

2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

IUPAC name

2-[7-benzyl-4-oxo-2-(propan-2-yl)-3H4H5H6H7H8H-pyrido[34-d]pyrimidin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

CC(C)C(N1CC(NCc2cccc(C(F)(F)F)c2)=O)=NC(CN(Cc2ccccc2)CC2)=C2C1=O

InChI

InChI=1S/C27H29F3N4O2/c1-18(2)25-32-23-16-33(15-19-7-4-3-5-8-19)12-11-22(23)26(36)34(25)17-24(35)31-14-20-9-6-10-21(13-20)27(28,29)30/h3-10,13,18H,11-12,14-17H2,1-2H3,(H,31,35)

InChI Key

GEKYJLMCOKKUEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-3.96

Polar Surface Area

53.538

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

L392-1951 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L392-1951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1951?
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What is the minimum amount of L392-1951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1951
  • 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 L392-1951 available by request