8104-04594 Screening compound: [(3-bromophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

8104-04594 Screening compound: [(3-bromophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
8104-04594 Screening compound: [(3-bromophenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04594
[(3-bromophenyl)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

8104-04594

Molecular Formula

C11H14BrN5S (C11 H14 BrN5 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1nnnc1SCCNCc1cccc(Br)c1

InChI

InChI=1S/C11H14BrN5S/c1-17-11(14-15-16-17)18-6-5-13-8-9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3

InChI Key

ZKQYKKWRBMDMRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406711

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

328.24

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

1.616

Distribution Coefficient, logD

-1.494

Water Solubility, LogSw

-1.78

Polar Surface Area

52.189

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8104-04594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04594?
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What is the minimum amount of 8104-04594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04594
  • 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 8104-04594 available by request