D702-0798 Screening compound: 2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetic acid

D702-0798 Screening compound: 2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetic acid
D702-0798 Screening compound: 2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D702-0798
2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetic acid

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

D702-0798

Molecular Formula

C13H11FN2O4 (C13 H11 FN2 O4)

Compound Name

2-{3-[(3-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}acetic acid

IUPAC name

2-{3-[(3-fluorophenyl)methyl]-26-dioxo-1236-tetrahydropyrimidin-1-yl}acetic acid

SMILES

OC(CN(C(C=CN1Cc2cccc(F)c2)=O)C1=O)=O

InChI

InChI=1S/C13H11FN2O4/c14-10-3-1-2-9(6-10)7-15-5-4-11(17)16(13(15)20)8-12(18)19/h1-6H,7-8H2,(H,18,19)

InChI Key

YBHVKTQDNUYTNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.487

Distribution Coefficient, logD

-4.212

Water Solubility, LogSw

-1.24

Polar Surface Area

60.812

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D702-0798 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Nucleoside Mimetics Library (2197 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Mimetics
Targets:
  • Others
  • Phosphatases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D702-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D702-0798?
Check Price and Availability of D702-0798, 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 D702-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D702-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D702-0798
  • 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 D702-0798 available by request