SC55-1082 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1-methyl-1H-pyrazol-4-yl)methanone

SC55-1082 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1-methyl-1H-pyrazol-4-yl)methanone
SC55-1082 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1-methyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1082
[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](1-methyl-1H-pyrazol-4-yl)methanone

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

SC55-1082

Molecular Formula

C23H27N7O (C23 H27 N7 O)

Compound Name

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

IUPAC name

6-benzyl-8-(3-cyclopropyl-1H-124-triazol-5-yl)-2-(1-methyl-1H-pyrazole-4-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cn1ncc(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2c2nc(C3CC3)n[nH]2)=O)c1

InChI

InChI=1S/C23H27N7O/c1-28-11-18(9-24-28)22(31)30-14-23(15-30)13-29(10-16-5-3-2-4-6-16)12-19(23)21-25-20(26-27-21)17-7-8-17/h2-6,9,11,17,19H,7-8,10,12-15H2,1H3,(H,25,26,27)/t19-/m1/s1

InChI Key

RMXWWNMUDKJDKT-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

-2.700

Water Solubility, LogSw

-1.89

Polar Surface Area

69.624

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SC55-1082 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with SC55-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1082?
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What is the minimum amount of SC55-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1082
  • 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 SC55-1082 available by request