6579-0206 Screening compound: 1-(dimethylamino)propan-2-yl 4-butoxybenzoate

6579-0206 Screening compound: 1-(dimethylamino)propan-2-yl 4-butoxybenzoate
6579-0206 Screening compound: 1-(dimethylamino)propan-2-yl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6579-0206
1-(dimethylamino)propan-2-yl 4-butoxybenzoate

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

6579-0206

Molecular Formula

C16H25NO3 (C16 H25 NO3)

Compound Name

1-(dimethylamino)propan-2-yl 4-butoxybenzoate

IUPAC name

1-(dimethylamino)propan-2-yl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(OC(C)CN(C)C)=O

InChI

InChI=1S/C16H25NO3/c1-5-6-11-19-15-9-7-14(8-10-15)16(18)20-13(2)12-17(3)4/h7-10,13H,5-6,11-12H2,1-4H3/t13-/m0/s1

InChI Key

CRQHRCJDUWKZHW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14711786

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.77

Polar Surface Area

31.859

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

6579-0206 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 6579-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6579-0206?
Check Price and Availability of 6579-0206, 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 6579-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6579-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6579-0206
  • 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 6579-0206 available by request