4334-1311 Screening compound: 4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}-3-methylphenyl acetate

4334-1311 Screening compound: 4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}-3-methylphenyl acetate
4334-1311 Screening compound: 4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}-3-methylphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1311
4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}-3-methylphenyl acetate

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

4334-1311

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}-3-methylphenyl acetate

IUPAC name

4-{57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}-3-methylphenyl acetate

SMILES

CC(Oc(cc1)cc(C)c1N(C(c1cccnc11)=O)C1=O)=O

InChI

InChI=1S/C16H12N2O4/c1-9-8-11(22-10(2)19)5-6-13(9)18-15(20)12-4-3-7-17-14(12)16(18)21/h3-8H,1-2H3

InChI Key

RQLNBVQOFLQFJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01973907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.000

Distribution Coefficient, logD

1.000

Water Solubility, LogSw

-1.99

Polar Surface Area

59.239

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4334-1311 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4334-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1311?
Check Price and Availability of 4334-1311, 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 4334-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1311
  • 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 4334-1311 available by request