Y042-9754 Screening compound: 2-methyl-6-[(2-methylallyl)oxy]-3-[4-(morpholinocarbonyl)phenyl]-4(3H)-quinazolinone

Y042-9754 Screening compound: 2-methyl-6-[(2-methylallyl)oxy]-3-[4-(morpholinocarbonyl)phenyl]-4(3H)-quinazolinone
Y042-9754 Screening compound: 2-methyl-6-[(2-methylallyl)oxy]-3-[4-(morpholinocarbonyl)phenyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9754
2-methyl-6-[(2-methylallyl)oxy]-3-[4-(morpholinocarbonyl)phenyl]-4(3H)-quinazolinone

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

Y042-9754

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

2-methyl-6-[(2-methylallyl)oxy]-3-[4-(morpholinocarbonyl)phenyl]-4(3H)-quinazolinone

IUPAC name

2-methyl-6-[(2-methylprop-2-en-1-yl)oxy]-3-[4-(morpholine-4-carbonyl)phenyl]-34-dihydroquinazolin-4-one

SMILES

CC(COc(cc1)cc2c1N=C(C)N(c(cc1)ccc1C(N1CCOCC1)=O)C2=O)=C

InChI

InChI=1S/C24H25N3O4/c1-16(2)15-31-20-8-9-22-21(14-20)24(29)27(17(3)25-22)19-6-4-18(5-7-19)23(28)26-10-12-30-13-11-26/h4-9,14H,1,10-13,15H2,2-3H3

InChI Key

VFTVGCWVNWADIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.97

Polar Surface Area

55.830

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with Y042-9754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9754?
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What is the minimum amount of Y042-9754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9754
  • 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 Y042-9754 available by request