J021-3690 Screening compound: N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3690 Screening compound: N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3690 Screening compound: N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3690
N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

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

J021-3690

Molecular Formula

C19H16FN7O2S (C19 H16 FN7 O2 S)

Compound Name

N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(4-fluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

O=C(CCc1nc(CSc2nnc(-c3cnccc3)[nH]2)no1)Nc(cc1)ccc1F

InChI

InChI=1S/C19H16FN7O2S/c20-13-3-5-14(6-4-13)22-16(28)7-8-17-23-15(27-29-17)11-30-19-24-18(25-26-19)12-2-1-9-21-10-12/h1-6,9-10H,7-8,11H2,(H,22,28)(H,24,25,26)

InChI Key

GBKRUGLMEVBVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-1.89

Polar Surface Area

97.475

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with J021-3690 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3690
  • 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 J021-3690 available by request