L392-1481 Screening compound: ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

L392-1481 Screening compound: ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
L392-1481 Screening compound: ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-1481
ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

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

L392-1481

Molecular Formula

C25H25FN4O4S (C25 H25 FN4 O4 S)

Compound Name

ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

IUPAC name

ethyl 2-(4-fluorophenyl)-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-4-oxo-3H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carboxylate

SMILES

CCOC(N(CC1)CC(N=C(c(cc2)ccc2F)N2CC(Nc3cccc(SC)c3)=O)=C1C2=O)=O

InChI

InChI=1S/C25H25FN4O4S/c1-3-34-25(33)29-12-11-20-21(14-29)28-23(16-7-9-17(26)10-8-16)30(24(20)32)15-22(31)27-18-5-4-6-19(13-18)35-2/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,27,31)

InChI Key

LCGDFFKPGDQNLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.83

Polar Surface Area

71.184

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L392-1481 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L392-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1481?
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What is the minimum amount of L392-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1481
  • 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 L392-1481 available by request