D062-0261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)acetamide

D062-0261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)acetamide
D062-0261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0261
N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)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

D062-0261

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)acetamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]-2-(3-nitrophenoxy)acetamide

SMILES

CN(C)c1ccc(CN(Cc2ccco2)C(COc2cccc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C22H23N3O5/c1-23(2)18-10-8-17(9-11-18)14-24(15-21-7-4-12-29-21)22(26)16-30-20-6-3-5-19(13-20)25(27)28/h3-13H,14-16H2,1-2H3

InChI Key

UEGQKLRGDCBMTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07428243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.77

Polar Surface Area

67.085

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D062-0261 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D062-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0261?
Check Price and Availability of D062-0261, 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 D062-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0261
  • 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 D062-0261 available by request