0584-0085 Screening compound: 3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)propanoic acid

0584-0085 Screening compound: 3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)propanoic acid
0584-0085 Screening compound: 3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0085
3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)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

0584-0085

Molecular Formula

C21H31NO5 (C21 H31 NO5)

Compound Name

3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)propanoic acid

IUPAC name

3-({4-[(decyloxy)carbonyl]phenyl}carbamoyl)propanoic acid

SMILES

CCCCCCCCCCOC(c(cc1)ccc1NC(CCC(O)=O)=O)=O

InChI

InChI=1S/C21H31NO5/c1-2-3-4-5-6-7-8-9-16-27-21(26)17-10-12-18(13-11-17)22-19(23)14-15-20(24)25/h10-13H,2-9,14-16H2,1H3,(H,22,23)(H,24,25)

InChI Key

SNXBCETUUILUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00360931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-5.20

Polar Surface Area

72.819

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

0584-0085 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0584-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0085?
Check Price and Availability of 0584-0085, 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 0584-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0085
  • 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 0584-0085 available by request