8755-0054 Screening compound: 1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol

8755-0054 Screening compound: 1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol
8755-0054 Screening compound: 1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0054
1-phenoxy-3-[(propan-2-yl)amino]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

8755-0054

Molecular Formula

C12H19NO2 (C12 H19 NO2)

Compound Name

1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol

IUPAC name

1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol

SMILES

CC(C)NCC(COc1ccccc1)O

InChI

InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t11-/m0/s1

InChI Key

ONXLHKFGTDDVLQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD00458477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

-0.820

Water Solubility, LogSw

-1.74

Polar Surface Area

35.159

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8755-0054 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8755-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0054?
Check Price and Availability of 8755-0054, 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 8755-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0054
  • 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 8755-0054 available by request