6228-2342 Screening compound: 4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide

6228-2342 Screening compound: 4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide
6228-2342 Screening compound: 4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2342
4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide

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

6228-2342

Molecular Formula

C19H20BrNO3 (C19 H20 BrNO3)

Compound Name

4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-[(4-bromophenoxy)methyl]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(COc(cc2)ccc2Br)cc1)NCC1OCCC1

InChI

InChI=1S/C19H20BrNO3/c20-16-7-9-17(10-8-16)24-13-14-3-5-15(6-4-14)19(22)21-12-18-2-1-11-23-18/h3-10,18H,1-2,11-13H2,(H,21,22)/t18-/m1/s1

InChI Key

XOQLVPUKCHMPNL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02374430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.50

Polar Surface Area

40.534

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

6228-2342 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6228-2342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2342?
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What is the minimum amount of 6228-2342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2342
  • 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 6228-2342 available by request