4435-0146 Screening compound: N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,2-diphenylacetamide

4435-0146 Screening compound: N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,2-diphenylacetamide
4435-0146 Screening compound: N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4435-0146
N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,2-diphenylacetamide

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

4435-0146

Molecular Formula

C27H29NO3 (C27 H29 NO3)

Compound Name

N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,2-diphenylacetamide

IUPAC name

N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-22-diphenylacetamide

SMILES

COc1ccc(C2(CNC(C(c3ccccc3)c3ccccc3)=O)CCOCC2)cc1

InChI

InChI=1S/C27H29NO3/c1-30-24-14-12-23(13-15-24)27(16-18-31-19-17-27)20-28-26(29)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25H,16-20H2,1H3,(H,28,29)

InChI Key

VBGWJMZZIJZEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03640344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.68

Polar Surface Area

39.753

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

4435-0146 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4435-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4435-0146?
Check Price and Availability of 4435-0146, 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 4435-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4435-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4435-0146
  • 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 4435-0146 available by request