L392-1333 Screening compound: ethyl 3-{[(4-methoxyphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

L392-1333 Screening compound: ethyl 3-{[(4-methoxyphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
L392-1333 Screening compound: ethyl 3-{[(4-methoxyphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-1333
ethyl 3-{[(4-methoxyphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-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

L392-1333

Molecular Formula

C26H28N4O5 (C26 H28 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CC(N=C(c2ccc(C)cc2)N2CC(Nc(cc3)ccc3OC)=O)=C1C2=O)=O

InChI

InChI=1S/C26H28N4O5/c1-4-35-26(33)29-14-13-21-22(15-29)28-24(18-7-5-17(2)6-8-18)30(25(21)32)16-23(31)27-19-9-11-20(34-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H,27,31)

InChI Key

QCHBHIRLFYDEMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.42

Polar Surface Area

78.727

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L392-1333 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 L392-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1333?
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What is the minimum amount of L392-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1333
  • 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 L392-1333 available by request