8011-8017 Screening compound: 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone

8011-8017 Screening compound: 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone
8011-8017 Screening compound: 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8017
2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-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

8011-8017

Molecular Formula

C25H22N4O3 (C25 H22 N4 O3)

Compound Name

2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone

IUPAC name

2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(2-methoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

Cc(c(C(Nc1c2cccc1)N(c(cccc1)c1OC)C2=O)c1O)nn1-c1ccccc1

InChI

InChI=1S/C25H22N4O3/c1-16-22(25(31)29(27-16)17-10-4-3-5-11-17)23-26-19-13-7-6-12-18(19)24(30)28(23)20-14-8-9-15-21(20)32-2/h3-15,23,26,31H,1-2H3/t23-/m0/s1

InChI Key

BPIIFEXCEXNDFI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02853078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-3.73

Polar Surface Area

63.911

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8011-8017 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-8017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8017?
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What is the minimum amount of 8011-8017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8017
  • 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 8011-8017 available by request