SC69-0689 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

SC69-0689 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone
SC69-0689 Screening compound: (1-ethyl-1H-pyrazol-4-yl)[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0689
(1-ethyl-1H-pyrazol-4-yl)[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

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

SC69-0689

Molecular Formula

C18H26N6O (C18 H26 N6 O)

Compound Name

(1-ethyl-1H-pyrazol-4-yl)[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

IUPAC name

2-(1-ethyl-1H-pyrazole-4-carbonyl)-4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonane

SMILES

CCn1c(C(C2)C3(CCCC3)CN2C(c2cn(CC)nc2)=O)nnc1

InChI

InChI=1S/C18H26N6O/c1-3-22-13-19-21-16(22)15-11-23(12-18(15)7-5-6-8-18)17(25)14-9-20-24(4-2)10-14/h9-10,13,15H,3-8,11-12H2,1-2H3/t15-/m0/s1

InChI Key

NOHIVAIGRKBIJD-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.441

Distribution Coefficient, logD

0.441

Water Solubility, LogSw

-0.59

Polar Surface Area

55.989

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC69-0689 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC69-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0689?
Check Price and Availability of SC69-0689, 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 SC69-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0689
  • 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 SC69-0689 available by request