SC69-0018 Screening compound: 2-(4-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

SC69-0018 Screening compound: 2-(4-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SC69-0018 Screening compound: 2-(4-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0018
2-(4-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

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

SC69-0018

Molecular Formula

C18H23ClN4 (C18 H23 ClN4)

Compound Name

2-(4-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

IUPAC name

2-[(4-chlorophenyl)methyl]-4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonane

SMILES

Cn1c(C2C3(CCCC3)CN(Cc(cc3)ccc3Cl)C2)nnc1

InChI

InChI=1S/C18H23ClN4/c1-22-13-20-21-17(22)16-11-23(12-18(16)8-2-3-9-18)10-14-4-6-15(19)7-5-14/h4-7,13,16H,2-3,8-12H2,1H3/t16-/m0/s1

InChI Key

BWJQRUVZRALUTK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32260642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

1.211

Water Solubility, LogSw

-2.94

Polar Surface Area

29.402

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SC69-0018 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC69-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0018?
Check Price and Availability of SC69-0018, 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 SC69-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0018
  • 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 SC69-0018 available by request