D459-0091 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-phenylpropanamide

D459-0091 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-phenylpropanamide
D459-0091 Screening compound: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0091
3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-phenylpropanamide

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

D459-0091

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-phenylpropanamide

IUPAC name

3-(24-dioxo-1234-tetrahydropyrimidin-1-yl)-N-phenylpropanamide

SMILES

O=C(CCN(C=CC(N1)=O)C1=O)Nc1ccccc1

InChI

InChI=1S/C13H13N3O3/c17-11(14-10-4-2-1-3-5-10)6-8-16-9-7-12(18)15-13(16)19/h1-5,7,9H,6,8H2,(H,14,17)(H,15,18,19)

InChI Key

ZYDSUJOJLUDBHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.334

Distribution Coefficient, logD

0.333

Water Solubility, LogSw

-1.67

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with D459-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0091?
Check Price and Availability of D459-0091, 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 D459-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0091
  • 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 D459-0091 available by request