6948-5120 Screening compound: 3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

6948-5120 Screening compound: 3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
6948-5120 Screening compound: 3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-5120
3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-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

6948-5120

Molecular Formula

C18H20BrN5OS (C18 H20 BrN5 OS)

Compound Name

3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

IUPAC name

3-(4-bromophenyl)-5-{[(5-cyclohexyl-4-methyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazole

SMILES

Cn1c(SCc2nc(-c(cc3)ccc3Br)no2)nnc1C1CCCCC1

InChI

InChI=1S/C18H20BrN5OS/c1-24-17(13-5-3-2-4-6-13)21-22-18(24)26-11-15-20-16(23-25-15)12-7-9-14(19)10-8-12/h7-10,13H,2-6,11H2,1H3

InChI Key

QWWKORCENLSGRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04401859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.31

Polar Surface Area

56.586

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

6948-5120 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6948-5120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-5120?
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What is the minimum amount of 6948-5120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-5120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-5120
  • 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 6948-5120 available by request