8451-05237 Screening compound: 7,7-dimethyl-2-[(4-methylphenyl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

8451-05237 Screening compound: 7,7-dimethyl-2-[(4-methylphenyl)amino]-5,6,7,8-tetrahydroquinazolin-5-one
8451-05237 Screening compound: 7,7-dimethyl-2-[(4-methylphenyl)amino]-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-05237
7,7-dimethyl-2-[(4-methylphenyl)amino]-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

8451-05237

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

7,7-dimethyl-2-[(4-methylphenyl)amino]-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

77-dimethyl-2-[(4-methylphenyl)amino]-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)(Cc1c2cnc(Nc3ccc(C)cc3)n1)CC2=O

InChI

InChI=1S/C17H19N3O/c1-11-4-6-12(7-5-11)19-16-18-10-13-14(20-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)

InChI Key

QNTJTLOEIHXVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04185172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.61

Polar Surface Area

44.047

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8451-05237 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8451-05237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-05237?
Check Price and Availability of 8451-05237, 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 8451-05237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-05237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-05237
  • 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 8451-05237 available by request