L392-1345 Screening compound: ethyl 3-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

L392-1345 Screening compound: ethyl 3-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
L392-1345 Screening compound: ethyl 3-{[(2,6-dimethylphenyl)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 L392-1345
ethyl 3-{[(2,6-dimethylphenyl)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

L392-1345

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

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

IUPAC name

ethyl 3-{[(26-dimethylphenyl)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(Nc3c(C)cccc3C)=O)=C1C2=O)=O

InChI

InChI=1S/C27H30N4O4/c1-5-35-27(34)30-14-13-21-22(15-30)28-25(20-11-9-17(2)10-12-20)31(26(21)33)16-23(32)29-24-18(3)7-6-8-19(24)4/h6-12H,5,13-16H2,1-4H3,(H,29,32)

InChI Key

YOHPXSRVFAPZAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.55

Polar Surface Area

69.788

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L392-1345 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L392-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1345?
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What is the minimum amount of L392-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1345
  • 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 L392-1345 available by request