8011-4122 Screening compound: methyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate

8011-4122 Screening compound: methyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate
8011-4122 Screening compound: methyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4122
methyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate

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

8011-4122

Molecular Formula

C19H13F3N2O4 (C19 H13 F3 N2 O4)

Compound Name

methyl 3-{5-[(1E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidin-4-yl]ethenyl]furan-2-yl}benzoate

IUPAC name

n/a

SMILES

COC(c1cccc(-c2ccc(/C=C/C(C=C(C(F)(F)F)N3)=NC3=O)o2)c1)=O

InChI

InChI=1S/C19H13F3N2O4/c1-27-17(25)12-4-2-3-11(9-12)15-8-7-14(28-15)6-5-13-10-16(19(20,21)22)24-18(26)23-13/h2-10H,1H3,(H,23,24,26)

InChI Key

TVAAUCZVFOFUCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

0.457

Water Solubility, LogSw

-4.57

Polar Surface Area

61.808

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8011-4122 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4122?
Check Price and Availability of 8011-4122, 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 8011-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4122
  • 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 8011-4122 available by request