C612-0408 Screening compound: 7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

C612-0408 Screening compound: 7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
C612-0408 Screening compound: 7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0408
7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

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

C612-0408

Molecular Formula

C18H14FN3O2 (C18 H14 FN3 O2)

Compound Name

7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(4-fluorophenyl)amino]-6-[(furan-2-yl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

O=C(c1cccnc11)N(Cc2ccco2)C1Nc(cc1)ccc1F

InChI

InChI=1S/C18H14FN3O2/c19-12-5-7-13(8-6-12)21-17-16-15(4-1-9-20-16)18(23)22(17)11-14-3-2-10-24-14/h1-10,17,21H,11H2/t17-/m0/s1

InChI Key

FOUZZGDEWGCWSW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14775577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.67

Polar Surface Area

42.660

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

C612-0408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0408?
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What is the minimum amount of C612-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0408
  • 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 C612-0408 available by request