Y041-3900 Screening compound: 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}butanoic acid

Y041-3900 Screening compound: 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}butanoic acid
Y041-3900 Screening compound: 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3900
4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}butanoic 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

Y041-3900

Molecular Formula

C11H10N2O4 (C11 H10 N2 O4)

Compound Name

4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}butanoic acid

IUPAC name

4-{13-dioxo-1H2H3H-pyrrolo[34-c]pyridin-2-yl}butanoic acid

SMILES

OC(CCCN(C(c1c2cncc1)=O)C2=O)=O

InChI

InChI=1S/C11H10N2O4/c14-9(15)2-1-5-13-10(16)7-3-4-12-6-8(7)11(13)17/h3-4,6H,1-2,5H2,(H,14,15)

InChI Key

NMADBICZDWMUPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18943733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.827

Distribution Coefficient, logD

-3.641

Water Solubility, LogSw

-1.34

Polar Surface Area

67.643

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y041-3900 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-3900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3900?
Check Price and Availability of Y041-3900, 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 Y041-3900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3900
  • 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 Y041-3900 available by request