SC46-0218 Screening compound: 1-(4-{[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]carbonyl}piperidino)-1-ethanone

SC46-0218 Screening compound: 1-(4-{[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]carbonyl}piperidino)-1-ethanone
SC46-0218 Screening compound: 1-(4-{[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]carbonyl}piperidino)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0218
1-(4-{[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]carbonyl}piperidino)-1-ethanone

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

SC46-0218

Molecular Formula

C21H31N5O2 (C21 H31 N5 O2)

Compound Name

1-(4-{[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]carbonyl}piperidino)-1-ethanone

IUPAC name

1-{4-[4-(3-cyclopropyl-1H-124-triazol-5-yl)-2-azaspiro[4.4]nonane-2-carbonyl]piperidin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(C1)CC2(CCCC2)C1c1nc(C2CC2)n[nH]1)=O)=O

InChI

InChI=1S/C21H31N5O2/c1-14(27)25-10-6-16(7-11-25)20(28)26-12-17(21(13-26)8-2-3-9-21)19-22-18(23-24-19)15-4-5-15/h15-17H,2-13H2,1H3,(H,22,23,24)/t17-/m0/s1

InChI Key

QTSFSICOJRWCEI-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-1.97

Polar Surface Area

68.830

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

SC46-0218 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 SC46-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0218?
Check Price and Availability of SC46-0218, 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 SC46-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0218
  • 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 SC46-0218 available by request