L392-1415 Screening compound: ethyl 2-(4-methylphenyl)-4-oxo-3-({[3-(propan-2-yl)phenyl]carbamoyl}methyl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

L392-1415 Screening compound: ethyl 2-(4-methylphenyl)-4-oxo-3-({[3-(propan-2-yl)phenyl]carbamoyl}methyl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
L392-1415 Screening compound: ethyl 2-(4-methylphenyl)-4-oxo-3-({[3-(propan-2-yl)phenyl]carbamoyl}methyl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-1415
ethyl 2-(4-methylphenyl)-4-oxo-3-({[3-(propan-2-yl)phenyl]carbamoyl}methyl)-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

L392-1415

Molecular Formula

C28H32N4O4 (C28 H32 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CC(N=C(c2ccc(C)cc2)N2CC(Nc3cc(C(C)C)ccc3)=O)=C1C2=O)=O

InChI

InChI=1S/C28H32N4O4/c1-5-36-28(35)31-14-13-23-24(16-31)30-26(20-11-9-19(4)10-12-20)32(27(23)34)17-25(33)29-22-8-6-7-21(15-22)18(2)3/h6-12,15,18H,5,13-14,16-17H2,1-4H3,(H,29,33)

InChI Key

MUKYOOBDEQLAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.32

Polar Surface Area

71.184

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

L392-1415 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L392-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1415?
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What is the minimum amount of L392-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1415
  • 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 L392-1415 available by request