SC46-0488 Screening compound: 1-[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-4-methyl-1-pentanone

SC46-0488 Screening compound: 1-[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-4-methyl-1-pentanone
SC46-0488 Screening compound: 1-[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-4-methyl-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0488
1-[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-4-methyl-1-pentanone

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

SC46-0488

Molecular Formula

C19H32N4O (C19 H32 N4 O)

Compound Name

1-[4-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]-4-methyl-1-pentanone

IUPAC name

4-methyl-1-{4-[3-(propan-2-yl)-1H-124-triazol-5-yl]-2-azaspiro[4.4]nonan-2-yl}pentan-1-one

SMILES

CC(C)CCC(N(C1)CC2(CCCC2)C1c1nc(C(C)C)n[nH]1)=O

InChI

InChI=1S/C19H32N4O/c1-13(2)7-8-16(24)23-11-15(19(12-23)9-5-6-10-19)18-20-17(14(3)4)21-22-18/h13-15H,5-12H2,1-4H3,(H,20,21,22)/t15-/m0/s1

InChI Key

DAUMFCPWCOSASZ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.59

Polar Surface Area

50.935

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.21

References: we are preparing a list of scientific research reports with SC46-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0488?
Check Price and Availability of SC46-0488, 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 SC46-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0488
  • 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 SC46-0488 available by request