8010-5146 Screening compound: 3-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl morpholine-4-carboxylate

8010-5146 Screening compound: 3-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl morpholine-4-carboxylate
8010-5146 Screening compound: 3-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5146
3-{6-amino-5-cyano-3-methyl-1H,4H-pyrano[2,3-c]pyrazol-4-yl}phenyl morpholine-4-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

8010-5146

Molecular Formula

C19H19N5O4 (C19 H19 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c2c1C(c1cccc(OC(N3CCOCC3)=O)c1)C(C#N)=C(N)O2

InChI

InChI=1S/C19H19N5O4/c1-11-15-16(14(10-20)17(21)28-18(15)23-22-11)12-3-2-4-13(9-12)27-19(25)24-5-7-26-8-6-24/h2-4,9,16H,5-8,21H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

HCWMCUVDXIYQLT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02110556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.051

Distribution Coefficient, logD

1.051

Water Solubility, LogSw

-2.00

Polar Surface Area

101.056

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8010-5146 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8010-5146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5146?
Check Price and Availability of 8010-5146, 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 8010-5146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5146
  • 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 8010-5146 available by request