8016-9154 Screening compound: [5-amino-3-(2-furyl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone

8016-9154 Screening compound: [5-amino-3-(2-furyl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
8016-9154 Screening compound: [5-amino-3-(2-furyl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9154
[5-amino-3-(2-furyl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)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

8016-9154

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

[5-amino-3-(2-furyl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone

IUPAC name

3-(furan-2-yl)-1-(4-methoxybenzoyl)-1H-124-triazol-5-amine

SMILES

COc(cc1)ccc1C(n1nc(-c2ccco2)nc1N)=O

InChI

InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)

InChI Key

VLVDOLXNKMIANU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-1.66

Polar Surface Area

73.969

Acid Dissociation Constant (pKa)

19.58

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8016-9154 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9154?
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What is the minimum amount of 8016-9154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9154
  • 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 8016-9154 available by request