C390-0705 Screening compound: methyl 4-[6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

C390-0705 Screening compound: methyl 4-[6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate
C390-0705 Screening compound: methyl 4-[6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0705
methyl 4-[6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-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

C390-0705

Molecular Formula

C17H13N3O3S (C17 H13 N3 O3 S)

Compound Name

methyl 4-[6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

IUPAC name

methyl 4-[6-oxo-3-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-4-yl]benzoate

SMILES

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

InChI

InChI=1S/C17H13N3O3S/c1-23-17(22)10-6-4-9(5-7-10)13-12-14(11-3-2-8-24-11)19-20-15(12)16(21)18-13/h2-8,13H,1H3,(H,18,21)(H,19,20)/t13-/m1/s1

InChI Key

ZPXTWJIKNYPEBK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14755861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.26

Polar Surface Area

72.236

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

C390-0705 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

KRAS-Targeted Library (16000 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 C390-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0705?
Check Price and Availability of C390-0705, 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 C390-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0705
  • 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 C390-0705 available by request