8451-05239 Screening compound: 2-[(4-methoxyphenyl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

8451-05239 Screening compound: 2-[(4-methoxyphenyl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one
8451-05239 Screening compound: 2-[(4-methoxyphenyl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-05239
2-[(4-methoxyphenyl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-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

8451-05239

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

2-[(4-methoxyphenyl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[(4-methoxyphenyl)amino]-7-phenyl-5678-tetrahydroquinazolin-5-one

SMILES

COc(cc1)ccc1Nc(nc1)nc(CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C21H19N3O2/c1-26-17-9-7-16(8-10-17)23-21-22-13-18-19(24-21)11-15(12-20(18)25)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3,(H,22,23,24)/t15-/m1/s1

InChI Key

VIIHGHFHDNAICO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04178917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.33

Polar Surface Area

51.319

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8451-05239 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8451-05239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-05239?
Check Price and Availability of 8451-05239, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8451-05239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-05239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-05239
  • 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 8451-05239 available by request