Y500-3295 Screening compound: 5-[(3,4-diethoxy-5-iodophenyl)methylene]-1,3-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Y500-3295 Screening compound: 5-[(3,4-diethoxy-5-iodophenyl)methylene]-1,3-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Y500-3295 Screening compound: 5-[(3,4-diethoxy-5-iodophenyl)methylene]-1,3-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-3295
5-[(3,4-diethoxy-5-iodophenyl)methylene]-1,3-diethyl-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

Y500-3295

Molecular Formula

C19H23IN2O5 (C19 H23 IN2 O5)

Compound Name

5-[(3,4-diethoxy-5-iodophenyl)methylene]-1,3-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

5-[(34-diethoxy-5-iodophenyl)methylidene]-13-diethyl-13-diazinane-246-trione

SMILES

CCN(C(C(C(N1CC)=O)=Cc(cc2OCC)cc(I)c2OCC)=O)C1=O

InChI

InChI=1S/C19H23IN2O5/c1-5-21-17(23)13(18(24)22(6-2)19(21)25)9-12-10-14(20)16(27-8-4)15(11-12)26-7-3/h9-11H,5-8H2,1-4H3

InChI Key

TXFOZHUPUSTOCA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.56

Polar Surface Area

59.551

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y500-3295 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 Y500-3295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-3295?
Check Price and Availability of Y500-3295, 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 Y500-3295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-3295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-3295
  • 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 Y500-3295 available by request