8104-08225 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine

8104-08225 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine
8104-08225 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-08225
{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine

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

8104-08225

Molecular Formula

C14H21N5S (C14 H21 N5 S)

Compound Name

{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine

IUPAC name

{2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}({[4-(propan-2-yl)phenyl]methyl})amine

SMILES

CC(C)c1ccc(CNCCSc2nnnn2C)cc1

InChI

InChI=1S/C14H21N5S/c1-11(2)13-6-4-12(5-7-13)10-15-8-9-20-14-16-17-18-19(14)3/h4-7,11,15H,8-10H2,1-3H3

InChI Key

LDRPJLGZPCQILG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07409379

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

-1.450

Water Solubility, LogSw

-2.25

Polar Surface Area

52.189

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

11.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8104-08225 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8104-08225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-08225?
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What is the minimum amount of 8104-08225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-08225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-08225
  • 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 8104-08225 available by request