SC67-0172 Screening compound: 2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(2-thienylmethyl)-2,8-diazaspiro[4.5]decane

SC67-0172 Screening compound: 2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(2-thienylmethyl)-2,8-diazaspiro[4.5]decane
SC67-0172 Screening compound: 2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(2-thienylmethyl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0172
2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(2-thienylmethyl)-2,8-diazaspiro[4.5]decane

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

SC67-0172

Molecular Formula

C19H29N5S (C19 H29 N5 S)

Compound Name

2-isopropyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-(2-thienylmethyl)-2,8-diazaspiro[4.5]decane

IUPAC name

4-(4-methyl-4H-124-triazol-3-yl)-2-(propan-2-yl)-8-[(thiophen-2-yl)methyl]-28-diazaspiro[4.5]decane

SMILES

CC(C)N(C1)CC2(CCN(Cc3cccs3)CC2)C1c1nncn1C

InChI

InChI=1S/C19H29N5S/c1-15(2)24-12-17(18-21-20-14-22(18)3)19(13-24)6-8-23(9-7-19)11-16-5-4-10-25-16/h4-5,10,14-15,17H,6-9,11-13H2,1-3H3/t17-/m1/s1

InChI Key

YBSNPOWKXULVJW-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

-1.833

Water Solubility, LogSw

-1.98

Polar Surface Area

33.919

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

11.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SC67-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC67-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0172?
Check Price and Availability of SC67-0172, 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 SC67-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0172
  • 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 SC67-0172 available by request