C527-0999 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide

C527-0999 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide
C527-0999 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-0999
2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide

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

C527-0999

Molecular Formula

C20H18ClFN2O3S (C20 H18 ClFN2 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-{[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide

SMILES

Cc1c(CS(CC(NCc(cc2)ccc2F)=O)=O)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C20H20ClFN2O3S/c1-13-18(24-20(27-13)15-4-6-16(21)7-5-15)11-28(26)12-19(25)23-10-14-2-8-17(22)9-3-14/h2-9H,10-12,28H2,1H3,(H,23,25)

InChI Key

HJESRFXJKJAOEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.94

Polar Surface Area

57.604

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C527-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-0999?
Check Price and Availability of C527-0999, 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 C527-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-0999
  • 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 C527-0999 available by request