8010-5452 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl furan-2-carboxylate

8010-5452 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl furan-2-carboxylate
8010-5452 Screening compound: 4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5452
4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl furan-2-carboxylate

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

8010-5452

Molecular Formula

C19H14N4O4 (C19 H14 N4 O4)

Compound Name

4-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl furan-2-carboxylate

IUPAC name

4-{6-amino-5-cyano-3-methyl-1H4H-pyrano[23-c]pyrazol-4-yl}phenyl furan-2-carboxylate

SMILES

Cc1n[nH]c2c1C(c(cc1)ccc1OC(c1ccco1)=O)C(C#N)=C(N)O2

InChI

InChI=1S/C19H14N4O4/c1-10-15-16(13(9-20)17(21)27-18(15)23-22-10)11-4-6-12(7-5-11)26-19(24)14-3-2-8-25-14/h2-8,16H,21H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

YNUGWMQBQHUMLQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02646679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-1.83

Polar Surface Area

99.507

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

8010-5452 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5452?
Check Price and Availability of 8010-5452, 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 8010-5452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5452
  • 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 8010-5452 available by request