F185-0233 Screening compound: 5,7-dimethyl-2-[(4-nitrophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

F185-0233 Screening compound: 5,7-dimethyl-2-[(4-nitrophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
F185-0233 Screening compound: 5,7-dimethyl-2-[(4-nitrophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F185-0233
5,7-dimethyl-2-[(4-nitrophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

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

F185-0233

Molecular Formula

C14H13N5O3 (C14 H13 N5 O3)

Compound Name

5,7-dimethyl-2-[(4-nitrophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

IUPAC name

57-dimethyl-2-[(4-nitrophenyl)methyl]-2H3H-[124]triazolo[43-a]pyrimidin-3-one

SMILES

CC(C=C(C)N12)=NC1=NN(Cc(cc1)ccc1[N+]([O-])=O)C2=O

InChI

InChI=1S/C14H13N5O3/c1-9-7-10(2)18-13(15-9)16-17(14(18)20)8-11-3-5-12(6-4-11)19(21)22/h3-7H,8H2,1-2H3

InChI Key

IWOMSKWDTPSXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.36

Polar Surface Area

73.971

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with F185-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F185-0233?
Check Price and Availability of F185-0233, 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 F185-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F185-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F185-0233
  • 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 F185-0233 available by request