D175-0015 Screening compound: [(5-bromo-2-methoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0015 Screening compound: [(5-bromo-2-methoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0015 Screening compound: [(5-bromo-2-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 D175-0015
[(5-bromo-2-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

D175-0015

Molecular Formula

C12H16BrN5OS (C12 H16 BrN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1nnnc1SCCNCc(cc(cc1)Br)c1OC

InChI

InChI=1S/C12H16BrN5OS/c1-18-12(15-16-17-18)20-6-5-14-8-9-7-10(13)3-4-11(9)19-2/h3-4,7,14H,5-6,8H2,1-2H3

InChI Key

MWVFSBOSJAKLQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06612698

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

358.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

-1.413

Water Solubility, LogSw

-2.24

Polar Surface Area

59.819

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D175-0015 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D175-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0015?
Check Price and Availability of D175-0015, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D175-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0015
  • 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 D175-0015 available by request