SC46-0274 Screening compound: 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

SC46-0274 Screening compound: 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
SC46-0274 Screening compound: 1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0274
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

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

SC46-0274

Molecular Formula

C21H30N6O (C21 H30 N6 O)

Compound Name

1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

IUPAC name

1-[4-(3-cyclopropyl-1H-124-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C1)CC2(CCCC2)C1c1nc(C2CC2)n[nH]1)=O

InChI

InChI=1S/C21H30N6O/c1-14-11-15(2)27(25-14)10-7-18(28)26-12-17(21(13-26)8-3-4-9-21)20-22-19(23-24-20)16-5-6-16/h11,16-17H,3-10,12-13H2,1-2H3,(H,22,23,24)/t17-/m0/s1

InChI Key

QNAOWOLSANHCPK-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

1.472

Water Solubility, LogSw

-1.95

Polar Surface Area

64.901

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SC46-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC46-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0274?
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What is the minimum amount of SC46-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0274
  • 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 SC46-0274 available by request