Y042-2980 Screening compound: 2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetic acid

Y042-2980 Screening compound: 2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetic acid
Y042-2980 Screening compound: 2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2980
2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-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

Y042-2980

Molecular Formula

C12H11FN2O4 (C12 H11 FN2 O4)

Compound Name

2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetic acid

IUPAC name

2-{1-[(3-fluorophenyl)methyl]-25-dioxoimidazolidin-4-yl}acetic acid

SMILES

OC(CC(C(N1Cc2cccc(F)c2)=O)NC1=O)=O

InChI

InChI=1S/C12H11FN2O4/c13-8-3-1-2-7(4-8)6-15-11(18)9(5-10(16)17)14-12(15)19/h1-4,9H,5-6H2,(H,14,19)(H,16,17)/t9-/m1/s1

InChI Key

VTOAAUVSJJTBGZ-SECBINFHSA-N

MDL Number (MFCD)

MFCD31557152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.558

Distribution Coefficient, logD

-2.228

Water Solubility, LogSw

-1.69

Polar Surface Area

70.320

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y042-2980 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CORONAVIRUS Library (20774 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y042-2980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2980?
Check Price and Availability of Y042-2980, 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 Y042-2980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2980
  • 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 Y042-2980 available by request