Y040-2797 Screening compound: 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydroquinazolin-4-one

Y040-2797 Screening compound: 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydroquinazolin-4-one
Y040-2797 Screening compound: 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2797
3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydroquinazolin-4-one

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

Y040-2797

Molecular Formula

C22H23FN4O2 (C22 H23 FN4 O2)

Compound Name

3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-34-dihydroquinazolin-4-one

SMILES

O=C(CCCN(C=Nc1c2cccc1)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H23FN4O2/c23-17-7-9-18(10-8-17)25-12-14-26(15-13-25)21(28)6-3-11-27-16-24-20-5-2-1-4-19(20)22(27)29/h1-2,4-5,7-10,16H,3,6,11-15H2

InChI Key

KNDIFIFKVOERMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06778934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-2.27

Polar Surface Area

45.970

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y040-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2797?
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What is the minimum amount of Y040-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2797
  • 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 Y040-2797 available by request