2332-1004 Screening compound: 1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

2332-1004 Screening compound: 1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol
2332-1004 Screening compound: 1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1004
1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]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

2332-1004

Molecular Formula

C17H29NO2 (C17 H29 NO2)

Compound Name

1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

IUPAC name

1-(tert-butylamino)-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

SMILES

CC(C)c(ccc(C)c1)c1OCC(CNC(C)(C)C)O

InChI

InChI=1S/C17H29NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h7-9,12,14,18-19H,10-11H2,1-6H3/t14-/m0/s1

InChI Key

DYLSDKFAKSASJJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00680568

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

279.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

1.471

Water Solubility, LogSw

-4.05

Polar Surface Area

35.096

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

2332-1004 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2332-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1004?
Check Price and Availability of 2332-1004, 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 2332-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1004
  • 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 2332-1004 available by request