SC70-0059 Screening compound: {8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}(3-thienyl)methanone

SC70-0059 Screening compound: {8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}(3-thienyl)methanone
SC70-0059 Screening compound: {8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC70-0059
{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}(3-thienyl)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

SC70-0059

Molecular Formula

C19H19N5OS (C19 H19 N5 OS)

Compound Name

{8-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]-6-azaspiro[3.4]oct-6-yl}(3-thienyl)methanone

IUPAC name

8-[5-(pyridin-4-yl)-1H-124-triazol-3-yl]-6-(thiophene-3-carbonyl)-6-azaspiro[3.4]octane

SMILES

O=C(c1cscc1)N(C1)CC2(CCC2)C1c1n[nH]c(-c2ccncc2)n1

InChI

InChI=1S/C19H19N5OS/c25-18(14-4-9-26-11-14)24-10-15(19(12-24)5-1-6-19)17-21-16(22-23-17)13-2-7-20-8-3-13/h2-4,7-9,11,15H,1,5-6,10,12H2,(H,21,22,23)/t15-/m0/s1

InChI Key

CRTVRRPRJWXLPM-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.40

Polar Surface Area

61.331

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

SC70-0059 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with SC70-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC70-0059?
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What is the minimum amount of SC70-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC70-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC70-0059
  • 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 SC70-0059 available by request