Y010-0025 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]propanoic acid

Y010-0025 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]propanoic acid
Y010-0025 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0025
3-[(2H-1,3-benzodioxol-5-yl)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

Y010-0025

Molecular Formula

C11H11NO5 (C11 H11 NO5)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]propanoic acid

IUPAC name

3-[(2H-13-benzodioxol-5-yl)carbamoyl]propanoic acid

SMILES

OC(CCC(Nc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C11H11NO5/c13-10(3-4-11(14)15)12-7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15)

InChI Key

JMRKAGGCXDQMTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01337772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.623

Distribution Coefficient, logD

-2.327

Water Solubility, LogSw

-1.82

Polar Surface Area

68.887

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y010-0025 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y010-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0025?
Check Price and Availability of Y010-0025, 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 Y010-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0025
  • 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 Y010-0025 available by request