D416-0373 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-3,4-dihydropyrimidin-4-one

D416-0373 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-3,4-dihydropyrimidin-4-one
D416-0373 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0373
2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-3,4-dihydropyrimidin-4-one

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

D416-0373

Molecular Formula

C12H11N3O3 (C12 H11 N3 O3)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)amino]-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-[(2H-13-benzodioxol-5-yl)amino]-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(Nc(cc1)cc2c1OCO2)N1)=CC1=O

InChI

InChI=1S/C12H11N3O3/c1-7-4-11(16)15-12(13-7)14-8-2-3-9-10(5-8)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14,15,16)

InChI Key

OGDJECZCPHYZHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.06

Polar Surface Area

61.472

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D416-0373 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D416-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0373?
Check Price and Availability of D416-0373, 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 D416-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0373
  • 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 D416-0373 available by request