8017-2609 Screening compound: 2-[3-nitro-5-(quinolin-8-yloxy)-1H-1,2,4-triazol-1-yl]acetamide

8017-2609 Screening compound: 2-[3-nitro-5-(quinolin-8-yloxy)-1H-1,2,4-triazol-1-yl]acetamide
8017-2609 Screening compound: 2-[3-nitro-5-(quinolin-8-yloxy)-1H-1,2,4-triazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2609
2-[3-nitro-5-(quinolin-8-yloxy)-1H-1,2,4-triazol-1-yl]acetamide

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

8017-2609

Molecular Formula

C13H10N6O4 (C13 H10 N6 O4)

Compound Name

2-[3-nitro-5-(quinolin-8-yloxy)-1H-1,2,4-triazol-1-yl]acetamide

IUPAC name

2-[3-nitro-5-(quinolin-8-yloxy)-1H-124-triazol-1-yl]acetamide

SMILES

NC(Cn(c(Oc1cccc2cccnc12)n1)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C13H10N6O4/c14-10(20)7-18-13(16-12(17-18)19(21)22)23-9-5-1-3-8-4-2-6-15-11(8)9/h1-6H,7H2,(H2,14,20)

InChI Key

NPPQJUPZGPURJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.424

Distribution Coefficient, logD

0.422

Water Solubility, LogSw

-1.68

Polar Surface Area

106.660

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8017-2609 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2609?
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What is the minimum amount of 8017-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2609
  • 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 8017-2609 available by request