Y041-3380 Screening compound: 2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}acetic acid

Y041-3380 Screening compound: 2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}acetic acid
Y041-3380 Screening compound: 2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3380
2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}acetic 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

Y041-3380

Molecular Formula

C9H6N2O4 (C9 H6 N2 O4)

Compound Name

2-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}acetic acid

IUPAC name

2-{57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}acetic acid

SMILES

OC(CN(C(c1cccnc11)=O)C1=O)=O

InChI

InChI=1S/C9H6N2O4/c12-6(13)4-11-8(14)5-2-1-3-10-7(5)9(11)15/h1-3H,4H2,(H,12,13)

InChI Key

MQQGCCZYQJJQNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09996828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.921

Distribution Coefficient, logD

-6.196

Water Solubility, LogSw

-2.11

Polar Surface Area

68.056

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y041-3380 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-3380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3380?
Check Price and Availability of Y041-3380, 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 Y041-3380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3380
  • 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 Y041-3380 available by request