C390-0703 Screening compound: 4-(4-tert-butylphenyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0703 Screening compound: 4-(4-tert-butylphenyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0703 Screening compound: 4-(4-tert-butylphenyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0703
4-(4-tert-butylphenyl)-3-(thiophen-2-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

C390-0703

Molecular Formula

C19H19N3OS (C19 H19 N3 OS)

Compound Name

4-(4-tert-butylphenyl)-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-tert-butylphenyl)-3-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CC(C)(C)c1ccc(C(c2c3[nH]nc2-c2cccs2)NC3=O)cc1

InChI

InChI=1S/C19H19N3OS/c1-19(2,3)12-8-6-11(7-9-12)15-14-16(13-5-4-10-24-13)21-22-17(14)18(23)20-15/h4-10,15H,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1

InChI Key

CEIZFTXJIDTWRF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14755860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.23

Polar Surface Area

51.063

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C390-0703 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with C390-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0703?
Check Price and Availability of C390-0703, 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 C390-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0703
  • 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 C390-0703 available by request