SC46-0310 Screening compound: 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane

SC46-0310 Screening compound: 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane
SC46-0310 Screening compound: 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0310
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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

SC46-0310

Molecular Formula

C20H30N6 (C20 H30 N6)

Compound Name

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane

IUPAC name

4-(3-cyclopropyl-1H-124-triazol-5-yl)-2-[(135-trimethyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane

SMILES

Cc1c(CN(C2)CC3(CCCC3)C2c2nc(C3CC3)n[nH]2)c(C)nn1C

InChI

InChI=1S/C20H30N6/c1-13-16(14(2)25(3)24-13)10-26-11-17(20(12-26)8-4-5-9-20)19-21-18(22-23-19)15-6-7-15/h15,17H,4-12H2,1-3H3,(H,21,22,23)/t17-/m0/s1

InChI Key

ZCFNJHZARIFQHD-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

-4.287

Water Solubility, LogSw

-2.00

Polar Surface Area

53.366

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

13.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SC46-0310 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 SC46-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0310?
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What is the minimum amount of SC46-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0310
  • 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 SC46-0310 available by request