3448-3388 Screening compound: 4-[(1E)-2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

3448-3388 Screening compound: 4-[(1E)-2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one
3448-3388 Screening compound: 4-[(1E)-2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3388
4-[(1E)-2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-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

3448-3388

Molecular Formula

C14H8BrF3N2O3 (C14 H8 BrF3 N2 O3)

Compound Name

4-[(1E)-2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-one

IUPAC name

4-[(1E)-2-(6-bromo-2H-13-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-12-dihydropyrimidin-2-one

SMILES

O=C1N=C(/C=C/c(cc2OCOc2c2)c2Br)C=C(C(F)(F)F)N1

InChI

InChI=1S/C14H8BrF3N2O3/c15-9-5-11-10(22-6-23-11)3-7(9)1-2-8-4-12(14(16,17)18)20-13(21)19-8/h1-5H,6H2,(H,19,20,21)

InChI Key

VZRFWJSHEPJDCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

-0.340

Water Solubility, LogSw

-4.13

Polar Surface Area

50.180

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3448-3388 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-3388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3388?
Check Price and Availability of 3448-3388, 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 3448-3388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3388
  • 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 3448-3388 available by request