V009-8885 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

V009-8885 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
V009-8885 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8885
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

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

V009-8885

Molecular Formula

C26H29NO5 (C26 H29 NO5)

Compound Name

1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{[(2H-13-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(Cc(cc1)cc2c1OCO2)Cc1cc(OC)ccc1)O

InChI

InChI=1S/C26H29NO5/c1-19-6-3-4-9-24(19)30-17-22(28)16-27(14-20-7-5-8-23(12-20)29-2)15-21-10-11-25-26(13-21)32-18-31-25/h3-13,22,28H,14-18H2,1-2H3/t22-/m0/s1

InChI Key

CCXGFHGTUIZCBT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19838786

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-5.11

Polar Surface Area

52.543

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V009-8885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8885?
Check Price and Availability of V009-8885, 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 V009-8885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8885
  • 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 V009-8885 available by request