1058-0038 Screening compound: 5-{[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

1058-0038 Screening compound: 5-{[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
1058-0038 Screening compound: 5-{[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1058-0038
5-{[4-(BENZYLOXY)-3-METHOXYPHENYL]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

1058-0038

Molecular Formula

C19H16N2O5 (C19 H16 N2 O5)

Compound Name

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

IUPAC name

n/a

SMILES

COc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C19H16N2O5/c1-25-16-10-13(9-14-17(22)20-19(24)21-18(14)23)7-8-15(16)26-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,20,21,22,23,24)

InChI Key

IXHLBDPSFLWTFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00610852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-2.67

Polar Surface Area

77.588

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1058-0038 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1058-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1058-0038?
Check Price and Availability of 1058-0038, 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 1058-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1058-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1058-0038
  • 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 1058-0038 available by request