L392-1458 Screening compound: ethyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

L392-1458 Screening compound: ethyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
L392-1458 Screening compound: ethyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-1458
ethyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-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

L392-1458

Molecular Formula

C25H23FN4O6 (C25 H23 FN4 O6)

Compound Name

ethyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

IUPAC name

ethyl 3-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-2-(4-fluorophenyl)-4-oxo-3H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carboxylate

SMILES

CCOC(N(CC1)CC(N=C(c(cc2)ccc2F)N2CC(Nc(cc3)cc4c3OCO4)=O)=C1C2=O)=O

InChI

InChI=1S/C25H23FN4O6/c1-2-34-25(33)29-10-9-18-19(12-29)28-23(15-3-5-16(26)6-4-15)30(24(18)32)13-22(31)27-17-7-8-20-21(11-17)36-14-35-20/h3-8,11H,2,9-10,12-14H2,1H3,(H,27,31)

InChI Key

CNYZPMTZKCYMSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.30

Polar Surface Area

88.299

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L392-1458 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L392-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-1458?
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What is the minimum amount of L392-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-1458
  • 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 L392-1458 available by request