1495-0136 Screening compound: 1-(tert-butylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol

1495-0136 Screening compound: 1-(tert-butylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol
1495-0136 Screening compound: 1-(tert-butylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0136
1-(tert-butylamino)-3-(2,4,6-trimethylphenoxy)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

1495-0136

Molecular Formula

C16H27NO2 (C16 H27 NO2)

Compound Name

1-(tert-butylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol

IUPAC name

1-(tert-butylamino)-3-(246-trimethylphenoxy)propan-2-ol

SMILES

CC(C)(C)NCC(COc1c(C)cc(C)cc1C)O

InChI

InChI=1S/C16H27NO2/c1-11-7-12(2)15(13(3)8-11)19-10-14(18)9-17-16(4,5)6/h7-8,14,17-18H,9-10H2,1-6H3/t14-/m0/s1

InChI Key

QBVBSZGSMKFHHH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01038159

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

265.4

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

3.608

Distribution Coefficient, logD

1.062

Water Solubility, LogSw

-3.45

Polar Surface Area

35.182

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

1495-0136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Akt-Targeted Library (14764 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
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1495-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0136?
Check Price and Availability of 1495-0136, 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 1495-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0136
  • 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 1495-0136 available by request