C612-1307 Screening compound: ethyl 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}benzoate

C612-1307 Screening compound: ethyl 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}benzoate
C612-1307 Screening compound: ethyl 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1307
ethyl 4-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}benzoate

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

C612-1307

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(c1c2cncc1)=O)C2=O)=O

InChI

InChI=1S/C16H12N2O4/c1-2-22-16(21)10-3-5-11(6-4-10)18-14(19)12-7-8-17-9-13(12)15(18)20/h3-9H,2H2,1H3

InChI Key

RXCYVVYYNJKUIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00104481

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

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.03

Polar Surface Area

59.151

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C612-1307 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1307?
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What is the minimum amount of C612-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1307
  • 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 C612-1307 available by request