5782-0195 Screening compound: 3-{[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid

5782-0195 Screening compound: 3-{[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid
5782-0195 Screening compound: 3-{[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-0195
3-{[3-(butoxycarbonyl)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

5782-0195

Molecular Formula

C15H19NO5 (C15 H19 NO5)

Compound Name

3-{[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid

IUPAC name

3-{[3-(butoxycarbonyl)phenyl]carbamoyl}propanoic acid

SMILES

CCCCOC(c1cc(NC(CCC(O)=O)=O)ccc1)=O

InChI

InChI=1S/C15H19NO5/c1-2-3-9-21-15(20)11-5-4-6-12(10-11)16-13(17)7-8-14(18)19/h4-6,10H,2-3,7-9H2,1H3,(H,16,17)(H,18,19)

InChI Key

YZGXDZPKXGHFSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00406200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

-0.393

Water Solubility, LogSw

-2.89

Polar Surface Area

72.819

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5782-0195 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5782-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-0195?
Check Price and Availability of 5782-0195, 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 5782-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-0195
  • 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 5782-0195 available by request