8020-2739 Screening compound: 2-fluoro-5-(4H-1,2,4-triazol-4-yl)aniline

8020-2739 Screening compound: 2-fluoro-5-(4H-1,2,4-triazol-4-yl)aniline
8020-2739 Screening compound: 2-fluoro-5-(4H-1,2,4-triazol-4-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2739
2-fluoro-5-(4H-1,2,4-triazol-4-yl)aniline

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

8020-2739

Molecular Formula

C8H7FN4 (C8 H7 FN4)

Compound Name

2-fluoro-5-(4H-1,2,4-triazol-4-yl)aniline

IUPAC name

2-fluoro-5-(4H-124-triazol-4-yl)aniline

SMILES

Nc(cc(cc1)-n2cnnc2)c1F

InChI

InChI=1S/C8H7FN4/c9-7-2-1-6(3-8(7)10)13-4-11-12-5-13/h1-5H,10H2

InChI Key

WXILGCWARVMDQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11505288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.17

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.768

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-0.95

Polar Surface Area

46.366

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-2739 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2739?
Check Price and Availability of 8020-2739, 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 8020-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2739
  • 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 8020-2739 available by request