3298-0037 Screening compound: 2-[(4-nitrobenzyl)sulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole

3298-0037 Screening compound: 2-[(4-nitrobenzyl)sulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole
3298-0037 Screening compound: 2-[(4-nitrobenzyl)sulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3298-0037
2-[(4-nitrobenzyl)sulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole

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

3298-0037

Molecular Formula

C14H10N4O3S (C14 H10 N4 O3 S)

Compound Name

2-[(4-nitrobenzyl)sulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole

IUPAC name

4-(5-{[(4-nitrophenyl)methyl]sulfanyl}-134-oxadiazol-2-yl)pyridine

SMILES

[O-][N+](c1ccc(CSc2nnc(-c3ccncc3)o2)cc1)=O

InChI

InChI=1S/C14H10N4O3S/c19-18(20)12-3-1-10(2-4-12)9-22-14-17-16-13(21-14)11-5-7-15-8-6-11/h1-8H,9H2

InChI Key

UNQNIANBMFBFLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02082756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.32

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

2.081

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-2.13

Polar Surface Area

72.874

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with 3298-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3298-0037?
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What is the minimum amount of 3298-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3298-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3298-0037
  • 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 3298-0037 available by request