S341-1780 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

S341-1780 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide
S341-1780 Screening compound: N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-1780
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole-3-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

S341-1780

Molecular Formula

C19H18FN3O4 (C19 H18 FN3 O4)

Compound Name

N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxamide

IUPAC name

N-[1-(34-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-124-oxadiazole-3-carboxamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(c1noc(-c(cccc2)c2F)n1)=O

InChI

InChI=1S/C19H18FN3O4/c1-11(12-8-9-15(25-2)16(10-12)26-3)21-18(24)17-22-19(27-23-17)13-6-4-5-7-14(13)20/h4-11H,1-3H3,(H,21,24)/t11-/m0/s1

InChI Key

PVBYPILZKAWLOP-NSHDSACASA-N

MDL Number (MFCD)

MFCD28122436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.57

Polar Surface Area

70.753

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

S341-1780 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S341-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-1780?
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What is the minimum amount of S341-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-1780
  • 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 S341-1780 available by request