C582-0008 Screening compound: methyl 2-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

C582-0008 Screening compound: methyl 2-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate
C582-0008 Screening compound: methyl 2-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0008
methyl 2-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)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

C582-0008

Molecular Formula

C20H17FN2O5 (C20 H17 FN2 O5)

Compound Name

methyl 2-(2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

IUPAC name

methyl 2-(2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(COCc1noc(-c(cc2)ccc2F)c1)=O)=O

InChI

InChI=1S/C20H17FN2O5/c1-26-20(25)16-4-2-3-5-17(16)22-19(24)12-27-11-15-10-18(28-23-15)13-6-8-14(21)9-7-13/h2-10H,11-12H2,1H3,(H,22,24)

InChI Key

IWXKCCXATQKDEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.76

Polar Surface Area

74.057

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C582-0008 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C582-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0008?
Check Price and Availability of C582-0008, 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 C582-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0008
  • 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 C582-0008 available by request