6280-1481 Screening compound: 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole

6280-1481 Screening compound: 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole
6280-1481 Screening compound: 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-1481
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-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

6280-1481

Molecular Formula

C22H26BrN3O2S (C22 H26 BrN3 O2 S)

Compound Name

3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole

IUPAC name

3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-124-triazole

SMILES

CC(C)COc1ccc(Cc(n2C)nnc2SCc(cc2)cc(Br)c2OC)cc1

InChI

InChI=1S/C22H26BrN3O2S/c1-15(2)13-28-18-8-5-16(6-9-18)12-21-24-25-22(26(21)3)29-14-17-7-10-20(27-4)19(23)11-17/h5-11,15H,12-14H2,1-4H3

InChI Key

GDPOBYYCXAZLFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.21

Polar Surface Area

41.157

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

6280-1481 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6280-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-1481?
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What is the minimum amount of 6280-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-1481
  • 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 6280-1481 available by request