3049-0117 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(naphthalen-1-yl)-3,4-dihydroquinazolin-4-one

3049-0117 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(naphthalen-1-yl)-3,4-dihydroquinazolin-4-one
3049-0117 Screening compound: 2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(naphthalen-1-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3049-0117
2-[(1Z)-2-[4-(dimethylamino)phenyl]ethenyl]-3-(naphthalen-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

3049-0117

Molecular Formula

C28H23N3O (C28 H23 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(/C=C\C(N2c3cccc4ccccc34)=Nc(cccc3)c3C2=O)cc1

InChI

InChI=1S/C28H23N3O/c1-30(2)22-17-14-20(15-18-22)16-19-27-29-25-12-6-5-11-24(25)28(32)31(27)26-13-7-9-21-8-3-4-10-23(21)26/h3-19H,1-2H3

InChI Key

VKVSRTDSURLONI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-6.51

Polar Surface Area

26.826

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3049-0117 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 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 3049-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3049-0117?
Check Price and Availability of 3049-0117, 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 3049-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3049-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3049-0117
  • 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 3049-0117 available by request