7331-0011 Screening compound: 7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-amine

7331-0011 Screening compound: 7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-amine
7331-0011 Screening compound: 7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7331-0011
7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-amine

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

7331-0011

Molecular Formula

C11H14N4O (C11 H14 N4 O)

Compound Name

7,7-dimethyl-1,5,7,8-tetrahydropyrano[4,3-b]pyrazolo[4,3-e]pyridin-3-amine

IUPAC name

1212-dimethyl-11-oxa-245-triazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-6-amine

SMILES

CC(C)(C1)OCc(cc23)c1nc2[nH]nc3N

InChI

InChI=1S/C11H14N4O/c1-11(2)4-8-6(5-16-11)3-7-9(12)14-15-10(7)13-8/h3H,4-5H2,1-2H3,(H3,12,13,14,15)

InChI Key

WAPCXVYXZOMTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-1.85

Polar Surface Area

62.472

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

7331-0011 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 7331-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7331-0011?
Check Price and Availability of 7331-0011, 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 7331-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7331-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7331-0011
  • 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 7331-0011 available by request