Y200-5311 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Y200-5311 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Y200-5311 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5311
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

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

Y200-5311

Molecular Formula

C19H14ClFN2O4 (C19 H14 ClFN2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCc(cc2)cc3c2OCO3)=O)c(-c(c(F)ccc2)c2Cl)no1

InChI

InChI=1S/C19H14ClFN2O4/c1-10-16(18(23-27-10)17-12(20)3-2-4-13(17)21)19(24)22-8-11-5-6-14-15(7-11)26-9-25-14/h2-7H,8-9H2,1H3,(H,22,24)

InChI Key

MVSZARDRNDOMTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06365840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.93

Polar Surface Area

63.727

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y200-5311 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y200-5311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5311?
Check Price and Availability of Y200-5311, 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 Y200-5311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5311
  • 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 Y200-5311 available by request