4687-0022 Screening compound: 2,3-diamino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one

4687-0022 Screening compound: 2,3-diamino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
4687-0022 Screening compound: 2,3-diamino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4687-0022
2,3-diamino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-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

4687-0022

Molecular Formula

C5H5F3N4O (C5 H5 F3 N4 O)

Compound Name

2,3-diamino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one

IUPAC name

n/a

SMILES

NC(N1N)=NC(C(F)(F)F)=CC1=O

InChI

InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)

InChI Key

RXJGGWLLRAKHDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.754

Distribution Coefficient, logD

-0.754

Water Solubility, LogSw

0.08

Polar Surface Area

63.361

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4687-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4687-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4687-0022?
Check Price and Availability of 4687-0022, 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 4687-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4687-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4687-0022
  • 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 4687-0022 available by request