Y042-9929 Screening compound: 2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]-N-{2-oxo-2-[(2-pyridylmethyl)amino]ethyl}acetamide

Y042-9929 Screening compound: 2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]-N-{2-oxo-2-[(2-pyridylmethyl)amino]ethyl}acetamide
Y042-9929 Screening compound: 2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]-N-{2-oxo-2-[(2-pyridylmethyl)amino]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9929
2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]-N-{2-oxo-2-[(2-pyridylmethyl)amino]ethyl}acetamide

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

Y042-9929

Molecular Formula

C20H21N5O5 (C20 H21 N5 O5)

Compound Name

2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]-N-{2-oxo-2-[(2-pyridylmethyl)amino]ethyl}acetamide

IUPAC name

2-[2-(67-dimethoxy-4-oxo-34-dihydroquinazolin-3-yl)acetamido]-N-[(pyridin-2-yl)methyl]acetamide

SMILES

COc(c(OC)c1)cc2c1N=CN(CC(NCC(NCc1ncccc1)=O)=O)C2=O

InChI

InChI=1S/C20H21N5O5/c1-29-16-7-14-15(8-17(16)30-2)24-12-25(20(14)28)11-19(27)23-10-18(26)22-9-13-5-3-4-6-21-13/h3-8,12H,9-11H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

QQKKNYKGNJCUNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12029487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.373

Distribution Coefficient, logD

0.372

Water Solubility, LogSw

-2.27

Polar Surface Area

100.086

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y042-9929 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 Y042-9929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9929?
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What is the minimum amount of Y042-9929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9929
  • 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 Y042-9929 available by request