6228-0490 Screening compound: 1-{[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}-2,3,5-TRIMETHYL-1H-PYRAZOL-2-IUM

6228-0490 Screening compound: 1-{[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}-2,3,5-TRIMETHYL-1H-PYRAZOL-2-IUM
6228-0490 Screening compound: 1-{[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}-2,3,5-TRIMETHYL-1H-PYRAZOL-2-IUM alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0490
1-{[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}-2,3,5-TRIMETHYL-1H-PYRAZOL-2-IUM

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

6228-0490

Molecular Formula

C13H17N2O3 (C13 H17 N2 O3)

Compound Name

1-{[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}-2,3,5-TRIMETHYL-1H-PYRAZOL-2-IUM

IUPAC name

n/a

SMILES

Cc1cc(C)[n+](C)n1Cc1ccc(C(OC)=O)o1

InChI

InChI=1S/C13H17N2O3/c1-9-7-10(2)15(14(9)3)8-11-5-6-12(18-11)13(16)17-4/h5-7H,8H2,1-4H3/q+1

InChI Key

QMLCZZGLTMCTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992319

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.741

Distribution Coefficient, logD

1.741

Water Solubility, LogSw

-2.09

Polar Surface Area

37.397

Acid Dissociation Constant (pKa)

31.49

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

6228-0490 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6228-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0490?
Check Price and Availability of 6228-0490, 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 6228-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0490
  • 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 6228-0490 available by request