8010-8304 Screening compound: 6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8010-8304 Screening compound: 6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8010-8304 Screening compound: 6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8304
6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

8010-8304

Molecular Formula

C15H14N4O2 (C15 H14 N4 O2)

Compound Name

6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-[(1E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

C/C(/C1C(C#N)=C(N)Oc2c1c(C)n[nH]2)=C\c1ccco1

InChI

InChI=1S/C15H14N4O2/c1-8(6-10-4-3-5-20-10)12-11(7-16)14(17)21-15-13(12)9(2)18-19-15/h3-6,12H,17H2,1-2H3,(H,18,19)/b8-6+/t12-/m0/s1

InChI Key

ZETCJLQRBCEWTM-WMADIVHISA-N

MDL Number (MFCD)

MFCD02647258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-1.81

Polar Surface Area

78.300

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8010-8304 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
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 8010-8304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8304?
Check Price and Availability of 8010-8304, 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 8010-8304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8304
  • 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 8010-8304 available by request