J021-3733 Screening compound: N-(3,5-difluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-3733 Screening compound: N-(3,5-difluorophenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-3733 Screening compound: N-(3,5-difluorophenyl)-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 J021-3733
N-(3,5-difluorophenyl)-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

J021-3733

Molecular Formula

C19H15F2N7O2S (C19 H15 F2 N7 O2 S)

Compound Name

N-(3,5-difluorophenyl)-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-(35-difluorophenyl)-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)Nc1cc(F)cc(F)c1

InChI

InChI=1S/C19H15F2N7O2S/c20-12-6-13(21)8-14(7-12)23-16(29)3-4-17-24-15(28-30-17)10-31-19-25-18(26-27-19)11-2-1-5-22-9-11/h1-2,5-9H,3-4,10H2,(H,23,29)(H,25,26,27)

InChI Key

LLGKHBSKWJTWIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.44

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

2.178

Distribution Coefficient, logD

1.051

Water Solubility, LogSw

-2.55

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 J021-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3733
  • 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 J021-3733 available by request