4298-0253 Screening compound: 3-{[(4-butoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

4298-0253 Screening compound: 3-{[(4-butoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4298-0253 Screening compound: 3-{[(4-butoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0253
3-{[(4-butoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

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

4298-0253

Molecular Formula

C13H17N3OS (C13 H17 N3 OS)

Compound Name

3-{[(4-butoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

n/a

SMILES

CCCCOc1ccc(CSc2nnc[nH]2)cc1

InChI

InChI=1S/C13H17N3OS/c1-2-3-8-17-12-6-4-11(5-7-12)9-18-13-14-10-15-16-13/h4-7,10H,2-3,8-9H2,1H3,(H,14,15,16)

InChI Key

UNVBOYKNALYIGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00440546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.58

Polar Surface Area

41.810

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 4298-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0253?
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What is the minimum amount of 4298-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0253
  • 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 4298-0253 available by request