4298-0266 Screening compound: 3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

4298-0266 Screening compound: 3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4298-0266 Screening compound: 3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0266
3-methyl-5-{[(4-propoxyphenyl)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

4298-0266

Molecular Formula

C13H17N3OS (C13 H17 N3 OS)

Compound Name

3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

CCCOc1ccc(CSc2nnc(C)[nH]2)cc1

InChI

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

InChI Key

XMEXDMJTTNCPNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00440547

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.50

Polar Surface Area

39.776

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4298-0266 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4298-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0266?
Check Price and Availability of 4298-0266, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4298-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0266
  • 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 4298-0266 available by request