C390-0686 Screening compound: 3-(furan-2-yl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0686 Screening compound: 3-(furan-2-yl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0686 Screening compound: 3-(furan-2-yl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0686
3-(furan-2-yl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-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

C390-0686

Molecular Formula

C14H10N4O2 (C14 H10 N4 O2)

Compound Name

3-(furan-2-yl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(furan-2-yl)-4-(pyridin-3-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

O=C(c1c2c(-c3ccco3)n[nH]1)NC2c1cnccc1

InChI

InChI=1S/C14H10N4O2/c19-14-13-10(11(16-14)8-3-1-5-15-7-8)12(17-18-13)9-4-2-6-20-9/h1-7,11H,(H,16,19)(H,17,18)/t11-/m0/s1

InChI Key

YOQVJEWTMMZORT-NSHDSACASA-N

MDL Number (MFCD)

MFCD09474969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.873

Distribution Coefficient, logD

0.873

Water Solubility, LogSw

-0.94

Polar Surface Area

68.140

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

C390-0686 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C390-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0686?
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What is the minimum amount of C390-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0686
  • 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 C390-0686 available by request