F019-0858 Screening compound: N-benzyl-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

F019-0858 Screening compound: N-benzyl-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
F019-0858 Screening compound: N-benzyl-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0858
N-benzyl-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

F019-0858

Molecular Formula

C20H18N6O3 (C20 H18 N6 O3)

Compound Name

N-benzyl-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-benzyl-5-methyl-7-(4-nitrophenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2[N+]([O-])=O)=C1C(NCc1ccccc1)=O

InChI

InChI=1S/C20H18N6O3/c1-13-17(19(27)21-11-14-5-3-2-4-6-14)18(25-20(24-13)22-12-23-25)15-7-9-16(10-8-15)26(28)29/h2-10,12,18H,11H2,1H3,(H,21,27)(H,22,23,24)/t18-/m0/s1

InChI Key

OVFJOUYPWLTLLX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06757530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.35

Polar Surface Area

95.785

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

F019-0858 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 F019-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0858?
Check Price and Availability of F019-0858, 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 F019-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0858
  • 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 F019-0858 available by request