D178-0028 Screening compound: N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

D178-0028 Screening compound: N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide
D178-0028 Screening compound: N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0028
N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

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

D178-0028

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

IUPAC name

N'-(2-methoxyphenyl)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}ethanediamide

SMILES

COc1ccc(C2(CNC(C(Nc(cccc3)c3OC)=O)=O)CCOCC2)cc1

InChI

InChI=1S/C22H26N2O5/c1-27-17-9-7-16(8-10-17)22(11-13-29-14-12-22)15-23-20(25)21(26)24-18-5-3-4-6-19(18)28-2/h3-10H,11-15H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

OXIZPZZANIGKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-3.53

Polar Surface Area

70.320

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D178-0028 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D178-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0028?
Check Price and Availability of D178-0028, 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 D178-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0028
  • 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 D178-0028 available by request