8012-1433 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5-dimethoxybenzoate

8012-1433 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5-dimethoxybenzoate
8012-1433 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1433
methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5-dimethoxybenzoate

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

8012-1433

Molecular Formula

C21H19ClN2O6 (C21 H19 ClN2 O6)

Compound Name

methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5-dimethoxybenzoate

IUPAC name

methyl 2-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]-45-dimethoxybenzoate

SMILES

Cc1c(C(Nc(cc(c(OC)c2)OC)c2C(OC)=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25)

InChI Key

NILNIUDXLTZPOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

1.892

Water Solubility, LogSw

-4.16

Polar Surface Area

81.027

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8012-1433 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-1433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1433?
Check Price and Availability of 8012-1433, 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 8012-1433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1433
  • 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 8012-1433 available by request