5645-0322 Screening compound: 2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-3,4-dihydroquinazolin-4-one

5645-0322 Screening compound: 2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-3,4-dihydroquinazolin-4-one
5645-0322 Screening compound: 2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0322
2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-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

5645-0322

Molecular Formula

C19H15N3O (C19 H15 N3 O)

Compound Name

2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(4-methylphenyl)-3-(1H-pyrrol-1-yl)-34-dihydroquinazolin-4-one

SMILES

Cc(cc1)ccc1C(N1n2cccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C19H15N3O/c1-14-8-10-15(11-9-14)18-20-17-7-3-2-6-16(17)19(23)22(18)21-12-4-5-13-21/h2-13H,1H3

InChI Key

NLARMALPRYDCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.194

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.62

Polar Surface Area

32.467

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5645-0322 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5645-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0322?
Check Price and Availability of 5645-0322, 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 5645-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0322
  • 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 5645-0322 available by request