D175-0052 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3,4,5-trimethoxyphenyl)methyl]amine

D175-0052 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3,4,5-trimethoxyphenyl)methyl]amine
D175-0052 Screening compound: {2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3,4,5-trimethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0052
{2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}[(3,4,5-trimethoxyphenyl)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

D175-0052

Molecular Formula

C14H21N5O3S (C14 H21 N5 O3 S)

Compound Name

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

IUPAC name

{2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}[(345-trimethoxyphenyl)methyl]amine

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C14H21N5O3S/c1-19-14(16-17-18-19)23-6-5-15-9-10-7-11(20-2)13(22-4)12(8-10)21-3/h7-8,15H,5-6,9H2,1-4H3

InChI Key

DOZZBEVZYOSCIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593836

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.645

Distribution Coefficient, logD

-5.098

Water Solubility, LogSw

-1.87

Polar Surface Area

75.167

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

13.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D175-0052 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D175-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0052?
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What is the minimum amount of D175-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0052
  • 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 D175-0052 available by request