1000-0203 Screening compound: 5-{[(3-BENZOYLPHENYL)AMINO]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

1000-0203 Screening compound: 5-{[(3-BENZOYLPHENYL)AMINO]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
1000-0203 Screening compound: 5-{[(3-BENZOYLPHENYL)AMINO]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0203
5-{[(3-BENZOYLPHENYL)AMINO]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

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

1000-0203

Molecular Formula

C18H13N3O4 (C18 H13 N3 O4)

Compound Name

5-{[(3-BENZOYLPHENYL)AMINO]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

IUPAC name

n/a

SMILES

O=C(c1ccccc1)c1cccc(NC=C(C(NC(N2)=O)=O)C2=O)c1

InChI

InChI=1S/C18H13N3O4/c22-15(11-5-2-1-3-6-11)12-7-4-8-13(9-12)19-10-14-16(23)20-18(25)21-17(14)24/h1-10,19H,(H2,20,21,23,24,25)

InChI Key

PRVCUCUTCOPCHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00595866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.32

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

1.918

Distribution Coefficient, logD

1.564

Water Solubility, LogSw

-2.73

Polar Surface Area

87.711

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1000-0203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1000-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0203?
Check Price and Availability of 1000-0203, 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 1000-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0203
  • 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 1000-0203 available by request