F601-0531 Screening compound: 3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

F601-0531 Screening compound: 3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
F601-0531 Screening compound: 3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F601-0531
3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

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

F601-0531

Molecular Formula

C17H16N2O3S (C17 H16 N2 O3 S)

Compound Name

3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

IUPAC name

3-ethyl-N-[3-(methylsulfanyl)phenyl]-2-oxo-23-dihydro-13-benzoxazole-5-carboxamide

SMILES

CCN(c(cc(cc1)C(Nc2cccc(SC)c2)=O)c1O1)C1=O

InChI

InChI=1S/C17H16N2O3S/c1-3-19-14-9-11(7-8-15(14)22-17(19)21)16(20)18-12-5-4-6-13(10-12)23-2/h4-10H,3H2,1-2H3,(H,18,20)

InChI Key

MNSKTMXQUFZEPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.80

Polar Surface Area

46.154

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

F601-0531 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F601-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F601-0531?
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What is the minimum amount of F601-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F601-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F601-0531
  • 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 F601-0531 available by request