D491-9106 Screening compound: 2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)acetamide

D491-9106 Screening compound: 2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)acetamide
D491-9106 Screening compound: 2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9106
2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)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

D491-9106

Molecular Formula

C22H22BrN3O2 (C22 H22 BrN3 O2)

Compound Name

2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)acetamide

IUPAC name

2-(4-bromophenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)acetamide

SMILES

CN(C)c1ccc(CN(C(COc(cc2)ccc2Br)=O)c2ncccc2)cc1

InChI

InChI=1S/C22H22BrN3O2/c1-25(2)19-10-6-17(7-11-19)15-26(21-5-3-4-14-24-21)22(27)16-28-20-12-8-18(23)9-13-20/h3-14H,15-16H2,1-2H3

InChI Key

RDWHJJMZRGAQOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-4.51

Polar Surface Area

33.877

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D491-9106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9106?
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What is the minimum amount of D491-9106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9106
  • 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 D491-9106 available by request