8010-2825 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(methoxymethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8010-2825 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(methoxymethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8010-2825 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(methoxymethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2825
6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(methoxymethyl)-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

8010-2825

Molecular Formula

C16H14N4O4 (C16 H14 N4 O4)

Compound Name

6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-(methoxymethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(2H-13-benzodioxol-5-yl)-3-(methoxymethyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COCc1n[nH]c2c1C(c(cc1)cc3c1OCO3)C(C#N)=C(N)O2

InChI

InChI=1S/C16H14N4O4/c1-21-6-10-14-13(8-2-3-11-12(4-8)23-7-22-11)9(5-17)15(18)24-16(14)20-19-10/h2-4,13H,6-7,18H2,1H3,(H,19,20)/t13-/m1/s1

InChI Key

PPGRDIIJTRQXQE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01872821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

1.143

Water Solubility, LogSw

-1.89

Polar Surface Area

96.779

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8010-2825 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 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 8010-2825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2825?
Check Price and Availability of 8010-2825, 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 8010-2825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2825
  • 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 8010-2825 available by request