D367-0016 Screening compound: 4,7,7-trimethyl-2-(phenylamino)-5,6,7,8-tetrahydroquinazolin-5-one

D367-0016 Screening compound: 4,7,7-trimethyl-2-(phenylamino)-5,6,7,8-tetrahydroquinazolin-5-one
D367-0016 Screening compound: 4,7,7-trimethyl-2-(phenylamino)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0016
4,7,7-trimethyl-2-(phenylamino)-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

D367-0016

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

4,7,7-trimethyl-2-(phenylamino)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

477-trimethyl-2-(phenylamino)-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)(Cc1c2c(C)nc(Nc3ccccc3)n1)CC2=O

InChI

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

InChI Key

QXRUJLGSPRMUPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08709195

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

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.86

Polar Surface Area

44.102

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D367-0016 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D367-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0016?
Check Price and Availability of D367-0016, 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 D367-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0016
  • 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 D367-0016 available by request