4004-0158 Screening compound: 6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-dihydropyrimidin-2-one

4004-0158 Screening compound: 6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-dihydropyrimidin-2-one
4004-0158 Screening compound: 6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0158
6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-dihydropyrimidin-2-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

4004-0158

Molecular Formula

C14H11ClF2N2O3 (C14 H11 ClF2 N2 O3)

Compound Name

6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-dihydropyrimidin-2-one

IUPAC name

6-(chlorodifluoromethyl)-4-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-12-dihydropyrimidin-2-one

SMILES

COc(cc(/C=C/C(C=C(C(F)(F)Cl)N1)=NC1=O)cc1)c1O

InChI

InChI=1S/C14H11ClF2N2O3/c1-22-11-6-8(3-5-10(11)20)2-4-9-7-12(14(15,16)17)19-13(21)18-9/h2-7,20H,1H3,(H,18,19,21)

InChI Key

DZVPFMBIWLLMDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

-1.133

Water Solubility, LogSw

-3.59

Polar Surface Area

57.243

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4004-0158 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4004-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0158?
Check Price and Availability of 4004-0158, 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 4004-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0158
  • 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 4004-0158 available by request