8006-0478 Screening compound: 3-[(2-propoxybenzoyl)amino]propanoic acid

8006-0478 Screening compound: 3-[(2-propoxybenzoyl)amino]propanoic acid
8006-0478 Screening compound: 3-[(2-propoxybenzoyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0478
3-[(2-propoxybenzoyl)amino]propanoic 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

8006-0478

Molecular Formula

C13H17NO4 (C13 H17 NO4)

Compound Name

3-[(2-propoxybenzoyl)amino]propanoic acid

IUPAC name

3-[(2-propoxyphenyl)formamido]propanoic acid

SMILES

CCCOc(cccc1)c1C(NCCC(O)=O)=O

InChI

InChI=1S/C13H17NO4/c1-2-9-18-11-6-4-3-5-10(11)13(17)14-8-7-12(15)16/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,16)

InChI Key

KKXFQGIERICMCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00436418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

-1.295

Water Solubility, LogSw

-2.31

Polar Surface Area

60.653

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8006-0478 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0478?
Check Price and Availability of 8006-0478, 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 8006-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0478
  • 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 8006-0478 available by request