Y041-4857 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]propanoic acid

Y041-4857 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]propanoic acid
Y041-4857 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4857
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]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

Y041-4857

Molecular Formula

C12H13NO5 (C12 H13 NO5)

Compound Name

3-[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]propanoic acid

IUPAC name

3-[(23-dihydro-14-benzodioxin-2-yl)formamido]propanoic acid

SMILES

OC(CCNC(C1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C12H13NO5/c14-11(15)5-6-13-12(16)10-7-17-8-3-1-2-4-9(8)18-10/h1-4,10H,5-7H2,(H,13,16)(H,14,15)/t10-/m0/s1

InChI Key

DPPKCPYLLOEXCY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD09812270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.24

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

0.104

Distribution Coefficient, logD

-2.591

Water Solubility, LogSw

-1.58

Polar Surface Area

68.586

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y041-4857 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-4857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4857?
Check Price and Availability of Y041-4857, 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 Y041-4857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4857
  • 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 Y041-4857 available by request