8017-3594 Screening compound: 2-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-N~1~-(2-hydroxyethyl)acetamide

8017-3594 Screening compound: 2-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-N~1~-(2-hydroxyethyl)acetamide
8017-3594 Screening compound: 2-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-N~1~-(2-hydroxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3594
2-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-N~1~-(2-hydroxyethyl)acetamide

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

8017-3594

Molecular Formula

C8H11N3O4 (C8 H11 N3 O4)

Compound Name

2-[2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-N~1~-(2-hydroxyethyl)acetamide

IUPAC name

2-(24-dioxo-1234-tetrahydropyrimidin-1-yl)-N-(2-hydroxyethyl)acetamide

SMILES

OCCNC(CN(C=CC(N1)=O)C1=O)=O

InChI

InChI=1S/C8H11N3O4/c12-4-2-9-7(14)5-11-3-1-6(13)10-8(11)15/h1,3,12H,2,4-5H2,(H,9,14)(H,10,13,15)

InChI Key

KCNCACYPWQXPTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00452740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-2.353

Distribution Coefficient, logD

-2.354

Water Solubility, LogSw

-0.94

Polar Surface Area

82.013

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8017-3594 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8017-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3594?
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What is the minimum amount of 8017-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3594
  • 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 8017-3594 available by request