8104-06089 Screening compound: [(3,4-dichlorophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

8104-06089 Screening compound: [(3,4-dichlorophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
8104-06089 Screening compound: [(3,4-dichlorophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-06089
[(3,4-dichlorophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})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

8104-06089

Molecular Formula

C11H13Cl2N5S (C11 H13 Cl2 N5 S)

Compound Name

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

IUPAC name

[(34-dichlorophenyl)methyl]({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C11H13Cl2N5S/c1-18-11(15-16-17-18)19-5-4-14-7-8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3

InChI Key

HJLUYYRIPVBDGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07410296

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

318.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-3.05

Polar Surface Area

52.189

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8104-06089 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8104-06089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-06089?
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What is the minimum amount of 8104-06089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-06089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-06089
  • 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 8104-06089 available by request