8020-5371 Screening compound: 2-[2-(3-fluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]acetic acid

8020-5371 Screening compound: 2-[2-(3-fluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]acetic acid
8020-5371 Screening compound: 2-[2-(3-fluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5371
2-[2-(3-fluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]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

8020-5371

Molecular Formula

C12H9FN2O3 (C12 H9 FN2 O3)

Compound Name

2-[2-(3-fluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]acetic acid

IUPAC name

2-[2-(3-fluorophenyl)-6-oxo-16-dihydropyrimidin-5-yl]acetic acid

SMILES

OC(CC1=CN=C(c2cccc(F)c2)NC1=O)=O

InChI

InChI=1S/C12H9FN2O3/c13-9-3-1-2-7(4-9)11-14-6-8(5-10(16)17)12(18)15-11/h1-4,6H,5H2,(H,16,17)(H,14,15,18)

InChI Key

WJWQUGVMBMNRQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20525994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.714

Distribution Coefficient, logD

-1.999

Water Solubility, LogSw

-1.93

Polar Surface Area

63.264

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8020-5371 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-5371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5371?
Check Price and Availability of 8020-5371, 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 8020-5371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5371
  • 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 8020-5371 available by request