8006-4508 Screening compound: 2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide

8006-4508 Screening compound: 2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide
8006-4508 Screening compound: 2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4508
2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide

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

8006-4508

Molecular Formula

C14H19N5S (C14 H19 N5 S)

Compound Name

2-amino-5-cyano-9-isopropyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-dien-1-yl cyanide

IUPAC name

2-amino-9-(propan-2-yl)-4-sulfanyl-39-diazaspiro[5.5]undeca-14-diene-15-dicarbonitrile

SMILES

CC(C)N(CC1)CCC1(C(C#N)=C(N)N1)C(C#N)=C1S

InChI

InChI=1S/C14H19N5S/c1-9(2)19-5-3-14(4-6-19)10(7-15)12(17)18-13(20)11(14)8-16/h9,18,20H,3-6,17H2,1-2H3

InChI Key

LOZJWTGJGPLZCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.835

Distribution Coefficient, logD

-1.436

Water Solubility, LogSw

-1.37

Polar Surface Area

70.279

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

8006-4508 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-4508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4508?
Check Price and Availability of 8006-4508, 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 8006-4508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4508
  • 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 8006-4508 available by request