Y044-4466 Screening compound: 1-(2-methoxyphenethyl)-5-oxo-N-(4-oxo-3,4-dihydro-6-quinazolinyl)-3-pyrrolidinecarboxamide

Y044-4466 Screening compound: 1-(2-methoxyphenethyl)-5-oxo-N-(4-oxo-3,4-dihydro-6-quinazolinyl)-3-pyrrolidinecarboxamide
Y044-4466 Screening compound: 1-(2-methoxyphenethyl)-5-oxo-N-(4-oxo-3,4-dihydro-6-quinazolinyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4466
1-(2-methoxyphenethyl)-5-oxo-N-(4-oxo-3,4-dihydro-6-quinazolinyl)-3-pyrrolidinecarboxamide

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

Y044-4466

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

1-(2-methoxyphenethyl)-5-oxo-N-(4-oxo-3,4-dihydro-6-quinazolinyl)-3-pyrrolidinecarboxamide

IUPAC name

1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-oxo-34-dihydroquinazolin-6-yl)pyrrolidine-3-carboxamide

SMILES

COc1c(CCN(CC(C2)C(Nc(cc3)cc4c3N=CNC4=O)=O)C2=O)cccc1

InChI

InChI=1S/C22H22N4O4/c1-30-19-5-3-2-4-14(19)8-9-26-12-15(10-20(26)27)21(28)25-16-6-7-18-17(11-16)22(29)24-13-23-18/h2-7,11,13,15H,8-10,12H2,1H3,(H,25,28)(H,23,24,29)/t15-/m0/s1

InChI Key

UNEDZZGSNDMKSS-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.894

Distribution Coefficient, logD

0.887

Water Solubility, LogSw

-2.34

Polar Surface Area

83.830

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

Y044-4466 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 Y044-4466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4466?
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What is the minimum amount of Y044-4466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4466
  • 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 Y044-4466 available by request