F465-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamide

F465-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamide
F465-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F465-0171
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}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

F465-0171

Molecular Formula

C19H15ClN2O4S (C19 H15 ClN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[5-(4-chlorophenyl)-13-oxazol-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1ncc(-c(cc2)ccc2Cl)o1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H15ClN2O4S/c20-14-4-2-13(3-5-14)17-9-22-19(26-17)27-10-18(23)21-8-12-1-6-15-16(7-12)25-11-24-15/h1-7,9H,8,10-11H2,(H,21,23)

InChI Key

YHCPOLVETFJZQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.50

Polar Surface Area

58.859

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with F465-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F465-0171?
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What is the minimum amount of F465-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F465-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F465-0171
  • 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 F465-0171 available by request