3379-0182 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one

3379-0182 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
3379-0182 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0182
2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-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

3379-0182

Molecular Formula

C24H21N3O2 (C24 H21 N3 O2)

Compound Name

2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(4-hydroxyphenyl)-34-dihydroquinazolin-4-one

SMILES

CN(C)c1ccc(/C=C\C(N2c(cc3)ccc3O)=Nc(cccc3)c3C2=O)cc1

InChI

InChI=1S/C24H21N3O2/c1-26(2)18-10-7-17(8-11-18)9-16-23-25-22-6-4-3-5-21(22)24(29)27(23)19-12-14-20(28)15-13-19/h3-16,28H,1-2H3

InChI Key

SSSCSDLBMOXPJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.72

Polar Surface Area

45.016

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3379-0182 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 3379-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0182?
Check Price and Availability of 3379-0182, 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 3379-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0182
  • 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 3379-0182 available by request