D442-0258 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

D442-0258 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide
D442-0258 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0258
N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}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

D442-0258

Molecular Formula

C25H41NO4 (C25 H41 NO4)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-{2-[22-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

SMILES

CC(C)CCC1(CCN(Cc(cc2)cc(OC)c2OC)C(C)=O)CC(C)(C)OCC1

InChI

InChI=1S/C25H41NO4/c1-19(2)10-11-25(13-15-30-24(4,5)18-25)12-14-26(20(3)27)17-21-8-9-22(28-6)23(16-21)29-7/h8-9,16,19H,10-15,17-18H2,1-7H3/t25-/m0/s1

InChI Key

IPJPDPQLCHANHD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05670945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.40

Polar Surface Area

39.548

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

D442-0258 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D442-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0258?
Check Price and Availability of D442-0258, 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 D442-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0258
  • 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 D442-0258 available by request