4790-0070 Screening compound: propyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate

4790-0070 Screening compound: propyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate
4790-0070 Screening compound: propyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-0070
propyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoate

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

4790-0070

Molecular Formula

C21H19ClN2O4 (C21 H19 ClN2 O4)

Compound Name

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

IUPAC name

propyl 3-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]benzoate

SMILES

CCCOC(c1cccc(NC(c2c(C)onc2-c(cccc2)c2Cl)=O)c1)=O

InChI

InChI=1S/C21H19ClN2O4/c1-3-11-27-21(26)14-7-6-8-15(12-14)23-20(25)18-13(2)28-24-19(18)16-9-4-5-10-17(16)22/h4-10,12H,3,11H2,1-2H3,(H,23,25)

InChI Key

ZBBADHXWRFKDQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01573247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.50

Polar Surface Area

66.338

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4790-0070 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with 4790-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-0070?
Check Price and Availability of 4790-0070, 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 4790-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-0070
  • 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 4790-0070 available by request