3253-1373 Screening compound: 2-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-perimidine

3253-1373 Screening compound: 2-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-perimidine
3253-1373 Screening compound: 2-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-perimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-1373
2-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-perimidine

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

3253-1373

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

2-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-perimidine

IUPAC name

2-[4-(benzyloxy)-3-methoxyphenyl]-23-dihydro-1H-perimidine

SMILES

COc(cc(C(N1)Nc2cccc3cccc1c23)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H22N2O2/c1-28-23-15-19(13-14-22(23)29-16-17-7-3-2-4-8-17)25-26-20-11-5-9-18-10-6-12-21(27-25)24(18)20/h2-15,25-27H,16H2,1H3

InChI Key

FWXSKCHIYHXKDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.90

Polar Surface Area

37.528

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3253-1373 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3253-1373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-1373?
Check Price and Availability of 3253-1373, 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 3253-1373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-1373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-1373
  • 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 3253-1373 available by request