D117-0036 Screening compound: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol

D117-0036 Screening compound: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol
D117-0036 Screening compound: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0036
1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-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

D117-0036

Molecular Formula

C29H43NO2 (C29 H43 NO2)

Compound Name

1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol

IUPAC name

1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol

SMILES

CCCCCCC(C(CN1CCCCCC1)c1ccccc1)(c(cc1)ccc1OCC)O

InChI

InChI=1S/C29H43NO2/c1-3-5-6-12-21-29(31,26-17-19-27(20-18-26)32-4-2)28(25-15-10-9-11-16-25)24-30-22-13-7-8-14-23-30/h9-11,15-20,28,31H,3-8,12-14,21-24H2,1-2H3

InChI Key

CQLDWKCIBVFSBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812107

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

437.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.596

Distribution Coefficient, logD

6.547

Water Solubility, LogSw

-5.74

Polar Surface Area

26.690

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.60

References: we are preparing a list of scientific research reports with D117-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0036?
Check Price and Availability of D117-0036, 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 D117-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0036
  • 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 D117-0036 available by request