8020-5078 Screening compound: 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenol

8020-5078 Screening compound: 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenol
8020-5078 Screening compound: 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5078
4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenol

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

8020-5078

Molecular Formula

C13H10N4O (C13 H10 N4 O)

Compound Name

4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenol

IUPAC name

4-[5-(pyridin-4-yl)-1H-124-triazol-3-yl]phenol

SMILES

Oc(cc1)ccc1-c1n[nH]c(-c2ccncc2)n1

InChI

InChI=1S/C13H10N4O/c18-11-3-1-9(2-4-11)12-15-13(17-16-12)10-5-7-14-8-6-10/h1-8,18H,(H,15,16,17)

InChI Key

NQHSTOVKOJAGDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06297775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-1.74

Polar Surface Area

60.797

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-5078 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8020-5078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5078?
Check Price and Availability of 8020-5078, 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 8020-5078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5078
  • 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 8020-5078 available by request