Y010-0014 Screening compound: 5-acetyl-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

Y010-0014 Screening compound: 5-acetyl-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Y010-0014 Screening compound: 5-acetyl-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0014
5-acetyl-1-(4-methoxyphenyl)-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

Y010-0014

Molecular Formula

C13H12N2O5 (C13 H12 N2 O5)

Compound Name

5-acetyl-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

5-acetyl-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

CC(C(C(NC(N1c(cc2)ccc2OC)=O)=O)C1=O)=O

InChI

InChI=1S/C13H12N2O5/c1-7(16)10-11(17)14-13(19)15(12(10)18)8-3-5-9(20-2)6-4-8/h3-6,10H,1-2H3,(H,14,17,19)/t10-/m1/s1

InChI Key

WWINABMEKVBWOZ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD06245292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.005

Distribution Coefficient, logD

-6.691

Water Solubility, LogSw

-1.74

Polar Surface Area

75.033

Acid Dissociation Constant (pKa)

0.71

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

Y010-0014 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 Y010-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0014?
Check Price and Availability of Y010-0014, 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 Y010-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0014
  • 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 Y010-0014 available by request