6117-0155 Screening compound: 1-(dimethylamino)propan-2-yl 4-methoxybenzoate

6117-0155 Screening compound: 1-(dimethylamino)propan-2-yl 4-methoxybenzoate
6117-0155 Screening compound: 1-(dimethylamino)propan-2-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6117-0155
1-(dimethylamino)propan-2-yl 4-methoxybenzoate

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

6117-0155

Molecular Formula

C13H19NO3 (C13 H19 NO3)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(C)C)OC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C13H19NO3/c1-10(9-14(2)3)17-13(15)11-5-7-12(16-4)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m0/s1

InChI Key

JINHIODLNSNPKR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00444548

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.43

Polar Surface Area

31.985

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

6117-0155 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6117-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6117-0155?
Check Price and Availability of 6117-0155, 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 6117-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6117-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6117-0155
  • 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 6117-0155 available by request