8104-04872 Screening compound: ({3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

8104-04872 Screening compound: ({3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
8104-04872 Screening compound: ({3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04872
({3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}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

8104-04872

Molecular Formula

C19H21Cl2N5O2S (C19 H21 Cl2 N5 O2 S)

Compound Name

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

IUPAC name

({3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(Cl)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C19H21Cl2N5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-14-9-16(21)18(17(10-14)27-2)28-12-13-3-5-15(20)6-4-13/h3-6,9-10,22H,7-8,11-12H2,1-2H3

InChI Key

UTINFTNJBNMIMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406951

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

454.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

-0.299

Water Solubility, LogSw

-3.98

Polar Surface Area

67.220

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8104-04872 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8104-04872 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8104-04872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04872
  • 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 8104-04872 available by request