V026-8109 Screening compound: 1-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]-3-(4-chlorophenoxy)-2-propanol

V026-8109 Screening compound: 1-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]-3-(4-chlorophenoxy)-2-propanol
V026-8109 Screening compound: 1-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]-3-(4-chlorophenoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8109
1-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]-3-(4-chlorophenoxy)-2-propanol

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

V026-8109

Molecular Formula

C24H24ClNO4 (C24 H24 ClNO4)

Compound Name

1-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]-3-(4-chlorophenoxy)-2-propanol

IUPAC name

1-{[(2H-13-benzodioxol-5-yl)methyl](benzyl)amino}-3-(4-chlorophenoxy)propan-2-ol

SMILES

OC(CN(Cc1ccccc1)Cc(cc1)cc2c1OCO2)COc(cc1)ccc1Cl

InChI

InChI=1S/C24H24ClNO4/c25-20-7-9-22(10-8-20)28-16-21(27)15-26(13-18-4-2-1-3-5-18)14-19-6-11-23-24(12-19)30-17-29-23/h1-12,21,27H,13-17H2/t21-/m0/s1

InChI Key

GMMUDEGXZUZEBF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14262828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-5.30

Polar Surface Area

44.913

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V026-8109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8109?
Check Price and Availability of V026-8109, 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 V026-8109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8109
  • 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 V026-8109 available by request