S713-0204 Screening compound: 1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

S713-0204 Screening compound: 1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
S713-0204 Screening compound: 1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S713-0204
1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

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

S713-0204

Molecular Formula

C21H21FN6O2 (C21 H21 FN6 O2)

Compound Name

1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine

IUPAC name

1-{[5-(2-fluorophenyl)-124-oxadiazol-3-yl]methyl}-4-[3-(1-methyl-1H-pyrrol-2-yl)-124-oxadiazol-5-yl]piperidine

SMILES

Cn1c(-c2noc(C3CCN(Cc4noc(-c(cccc5)c5F)n4)CC3)n2)ccc1

InChI

InChI=1S/C21H21FN6O2/c1-27-10-4-7-17(27)19-24-20(29-26-19)14-8-11-28(12-9-14)13-18-23-21(30-25-18)15-5-2-3-6-16(15)22/h2-7,10,14H,8-9,11-13H2,1H3

InChI Key

DHEAIXXHCVABKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.111

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.17

Polar Surface Area

70.461

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with S713-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S713-0204?
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What is the minimum amount of S713-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S713-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S713-0204
  • 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 S713-0204 available by request