SC55-0591 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-1-propanone

SC55-0591 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-1-propanone
SC55-0591 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-0591
1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-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

SC55-0591

Molecular Formula

C19H25N5O (C19 H25 N5 O)

Compound Name

1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-1-propanone

IUPAC name

1-[6-benzyl-8-(3-methyl-1H-124-triazol-5-yl)-26-diazaspiro[3.4]octan-2-yl]propan-1-one

SMILES

CCC(N(C1)CC1(CN(Cc1ccccc1)C1)C1c1nc(C)n[nH]1)=O

InChI

InChI=1S/C19H25N5O/c1-3-17(25)24-12-19(13-24)11-23(9-15-7-5-4-6-8-15)10-16(19)18-20-14(2)21-22-18/h4-8,16H,3,9-13H2,1-2H3,(H,20,21,22)/t16-/m1/s1

InChI Key

VLSMBEBVFCTWNG-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.459

Distribution Coefficient, logD

-2.842

Water Solubility, LogSw

-1.96

Polar Surface Area

53.920

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SC55-0591 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC55-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-0591?
Check Price and Availability of SC55-0591, 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 SC55-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-0591
  • 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 SC55-0591 available by request