D442-0294 Screening compound: N-(2-{4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl}ethyl)-N-[(furan-2-yl)methyl]acetamide

D442-0294 Screening compound: N-(2-{4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl}ethyl)-N-[(furan-2-yl)methyl]acetamide
D442-0294 Screening compound: N-(2-{4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl}ethyl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0294
N-(2-{4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl}ethyl)-N-[(furan-2-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

D442-0294

Molecular Formula

C23H30ClNO3 (C23 H30 ClNO3)

Compound Name

N-(2-{4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl}ethyl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

N-(2-{4-[(2-chlorophenyl)methyl]-22-dimethyloxan-4-yl}ethyl)-N-[(furan-2-yl)methyl]acetamide

SMILES

CC1(C)OCCC(CCN(Cc2ccco2)C(C)=O)(Cc(cccc2)c2Cl)C1

InChI

InChI=1S/C23H30ClNO3/c1-18(26)25(16-20-8-6-13-27-20)12-10-23(11-14-28-22(2,3)17-23)15-19-7-4-5-9-21(19)24/h4-9,13H,10-12,14-17H2,1-3H3/t23-/m1/s1

InChI Key

JCJKXYSDLBOZQP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05678075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-4.84

Polar Surface Area

31.764

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

D442-0294 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D442-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0294?
Check Price and Availability of D442-0294, 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 D442-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0294
  • 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 D442-0294 available by request