3472-1539 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

3472-1539 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
3472-1539 Screening compound: 2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3472-1539
2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-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

3472-1539

Molecular Formula

C27H23N3O2 (C27 H23 N3 O2)

Compound Name

2-[(1E)-2-(1,2-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[(1E)-2-(12-dimethyl-1H-indol-3-yl)ethenyl]-3-(4-methoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(/C=C/C(N2c(cc3)ccc3OC)=Nc(cccc3)c3C2=O)c(cccc2)c2n1C

InChI

InChI=1S/C27H23N3O2/c1-18-21(22-8-5-7-11-25(22)29(18)2)16-17-26-28-24-10-6-4-9-23(24)27(31)30(26)19-12-14-20(32-3)15-13-19/h4-17H,1-3H3

InChI Key

VDDWAAYNJMOWSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.34

Polar Surface Area

34.420

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3472-1539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3472-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3472-1539?
Check Price and Availability of 3472-1539, 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 3472-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3472-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3472-1539
  • 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 3472-1539 available by request