4435-0145 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide

4435-0145 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide
4435-0145 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4435-0145
2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide

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

4435-0145

Molecular Formula

C23H29NO5 (C23 H29 NO5)

Compound Name

2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide

IUPAC name

2-(34-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}acetamide

SMILES

COc1ccc(C2(CNC(Cc(cc3)cc(OC)c3OC)=O)CCOCC2)cc1

InChI

InChI=1S/C23H29NO5/c1-26-19-7-5-18(6-8-19)23(10-12-29-13-11-23)16-24-22(25)15-17-4-9-20(27-2)21(14-17)28-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,25)

InChI Key

OBOZZKKKDGMUHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03640349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.35

Polar Surface Area

55.072

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

4435-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4435-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4435-0145?
Check Price and Availability of 4435-0145, 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 4435-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4435-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4435-0145
  • 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 4435-0145 available by request