7797-0100 Screening compound: 5-butyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-amine

7797-0100 Screening compound: 5-butyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-amine
7797-0100 Screening compound: 5-butyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7797-0100
5-butyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-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

7797-0100

Molecular Formula

C13H18N4 (C13 H18 N4)

Compound Name

5-butyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-amine

IUPAC name

8-butyl-457-triazatricyclo[7.3.0.0^{26}]dodeca-1(9)2(6)37-tetraen-3-amine

SMILES

CCCCc(c1c2CCC1)nc1c2c(N)n[nH]1

InChI

InChI=1S/C13H18N4/c1-2-3-7-10-8-5-4-6-9(8)11-12(14)16-17-13(11)15-10/h2-7H2,1H3,(H3,14,15,16,17)

InChI Key

XWMBTDGQQVXIHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.22

Polar Surface Area

54.906

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

7797-0100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 7797-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7797-0100?
Check Price and Availability of 7797-0100, 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 7797-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7797-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7797-0100
  • 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 7797-0100 available by request