8017-1085 Screening compound: 1-benzyl-3-methyl-3,4-dihydro-2(1H)-quinazolinone

8017-1085 Screening compound: 1-benzyl-3-methyl-3,4-dihydro-2(1H)-quinazolinone
8017-1085 Screening compound: 1-benzyl-3-methyl-3,4-dihydro-2(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1085
1-benzyl-3-methyl-3,4-dihydro-2(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

8017-1085

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

1-benzyl-3-methyl-3,4-dihydro-2(1H)-quinazolinone

IUPAC name

1-benzyl-3-methyl-1234-tetrahydroquinazolin-2-one

SMILES

CN(Cc(cccc1)c1N1Cc2ccccc2)C1=O

InChI

InChI=1S/C16H16N2O/c1-17-12-14-9-5-6-10-15(14)18(16(17)19)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

OEAYRXQZLQBSQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.54

Polar Surface Area

18.647

Acid Dissociation Constant (pKa)

19.58

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8017-1085 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1085?
Check Price and Availability of 8017-1085, 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 8017-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1085
  • 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 8017-1085 available by request