C612-0418 Screening compound: ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

C612-0418 Screening compound: ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
C612-0418 Screening compound: ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0418
ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)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

C612-0418

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

IUPAC name

ethyl 4-({6-[(furan-2-yl)methyl]-5-oxo-5H6H7H-pyrrolo[34-b]pyridin-7-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c2cccn1)N(Cc1ccco1)C2=O)=O

InChI

InChI=1S/C21H19N3O4/c1-2-27-21(26)14-7-9-15(10-8-14)23-19-18-17(6-3-11-22-18)20(25)24(19)13-16-5-4-12-28-16/h3-12,19,23H,2,13H2,1H3/t19-/m1/s1

InChI Key

OWUNHKQCIQWINW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14775584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-3.85

Polar Surface Area

63.413

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C612-0418 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C612-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0418?
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What is the minimum amount of C612-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0418
  • 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 C612-0418 available by request