J057-1666 Screening compound: pyridin-3-yl 2-fluoro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate

J057-1666 Screening compound: pyridin-3-yl 2-fluoro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate
J057-1666 Screening compound: pyridin-3-yl 2-fluoro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-1666
pyridin-3-yl 2-fluoro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate

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

J057-1666

Molecular Formula

C19H12FN3O4S (C19 H12 FN3 O4 S)

Compound Name

pyridin-3-yl 2-fluoro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzene-1-sulfonate

IUPAC name

pyridin-3-yl 2-fluoro-5-(5-phenyl-134-oxadiazol-2-yl)benzene-1-sulfonate

SMILES

O=S(c(cc(cc1)-c2nnc(-c3ccccc3)o2)c1F)(Oc1cnccc1)=O

InChI

InChI=1S/C19H12FN3O4S/c20-16-9-8-14(19-23-22-18(26-19)13-5-2-1-3-6-13)11-17(16)28(24,25)27-15-7-4-10-21-12-15/h1-12H

InChI Key

CEKROGVFJHNTQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.30

Polar Surface Area

75.762

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

J057-1666 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J057-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-1666?
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What is the minimum amount of J057-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-1666
  • 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 J057-1666 available by request