3329-3667 Screening compound: 5-[(2-benzoyl-4-chloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

3329-3667 Screening compound: 5-[(2-benzoyl-4-chloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
3329-3667 Screening compound: 5-[(2-benzoyl-4-chloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3667
5-[(2-benzoyl-4-chloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

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

3329-3667

Molecular Formula

C18H12ClN3O4 (C18 H12 ClN3 O4)

Compound Name

5-[(2-benzoyl-4-chloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

5-{[(2-benzoyl-4-chlorophenyl)amino]methylidene}-13-diazinane-246-trione

SMILES

O=C(c1ccccc1)c(cc(cc1)Cl)c1NC=C(C(NC(N1)=O)=O)C1=O

InChI

InChI=1S/C18H12ClN3O4/c19-11-6-7-14(12(8-11)15(23)10-4-2-1-3-5-10)20-9-13-16(24)21-18(26)22-17(13)25/h1-9,20H,(H2,21,22,24,25,26)

InChI Key

FANSXNHNDDTLOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00813305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.278

Distribution Coefficient, logD

0.747

Water Solubility, LogSw

-3.69

Polar Surface Area

87.013

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3329-3667 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 3329-3667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3667?
Check Price and Availability of 3329-3667, 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 3329-3667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3667
  • 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 3329-3667 available by request