6048-0343 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid

6048-0343 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid
6048-0343 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0343
4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid

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

6048-0343

Molecular Formula

C15H21NO5 (C15 H21 NO5)

Compound Name

4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid

IUPAC name

4-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}butanoic acid

SMILES

COc(ccc(CCNC(CCCC(O)=O)=O)c1)c1OC

InChI

InChI=1S/C15H21NO5/c1-20-12-7-6-11(10-13(12)21-2)8-9-16-14(17)4-3-5-15(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)

InChI Key

IJVGZJBNIWUEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.178

Distribution Coefficient, logD

-2.775

Water Solubility, LogSw

-1.76

Polar Surface Area

68.196

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

6048-0343 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6048-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0343?
Check Price and Availability of 6048-0343, 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 6048-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0343
  • 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 6048-0343 available by request