3651-6168 Screening compound: 2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-3,4-dihydroquinazolin-4-one

3651-6168 Screening compound: 2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-3,4-dihydroquinazolin-4-one
3651-6168 Screening compound: 2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3651-6168
2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-3,4-dihydroquinazolin-4-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

3651-6168

Molecular Formula

C30H35N3O2 (C30 H35 N3 O2)

Compound Name

2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(3-methylphenyl)-3-({[4-(octyloxy)phenyl]methyl}amino)-34-dihydroquinazolin-4-one

SMILES

CCCCCCCCOc1ccc(CNN(C(c2cc(C)ccc2)=Nc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C30H35N3O2/c1-3-4-5-6-7-10-20-35-26-18-16-24(17-19-26)22-31-33-29(25-13-11-12-23(2)21-25)32-28-15-9-8-14-27(28)30(33)34/h8-9,11-19,21,31H,3-7,10,20,22H2,1-2H3

InChI Key

RFXZLIOAPMMCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.888

Distribution Coefficient, logD

6.888

Water Solubility, LogSw

-5.65

Polar Surface Area

46.294

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3651-6168 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3651-6168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3651-6168?
Check Price and Availability of 3651-6168, 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 3651-6168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3651-6168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3651-6168
  • 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 3651-6168 available by request