D130-0065 Screening compound: 3-(4-nitrophenyl)-1,2,4-triazine

D130-0065 Screening compound: 3-(4-nitrophenyl)-1,2,4-triazine
D130-0065 Screening compound: 3-(4-nitrophenyl)-1,2,4-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D130-0065
3-(4-nitrophenyl)-1,2,4-triazine

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

D130-0065

Molecular Formula

C9H6N4O2 (C9 H6 N4 O2)

Compound Name

3-(4-nitrophenyl)-1,2,4-triazine

IUPAC name

3-(4-nitrophenyl)-124-triazine

SMILES

[O-][N+](c(cc1)ccc1-c1nnccn1)=O

InChI

InChI=1S/C9H6N4O2/c14-13(15)8-3-1-7(2-4-8)9-10-5-6-11-12-9/h1-6H

InChI Key

IIIYXZGTPDAZHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04012286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.953

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-1.56

Polar Surface Area

66.319

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D130-0065 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D130-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D130-0065?
Check Price and Availability of D130-0065, 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 D130-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D130-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D130-0065
  • 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 D130-0065 available by request