D175-0041 Screening compound: [(3-bromo-4,5-diethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0041 Screening compound: [(3-bromo-4,5-diethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0041 Screening compound: [(3-bromo-4,5-diethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0041
[(3-bromo-4,5-diethoxyphenyl)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

D175-0041

Molecular Formula

C15H22BrN5O2S (C15 H22 BrN5 O2 S)

Compound Name

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

IUPAC name

[(3-bromo-45-diethoxyphenyl)methyl]({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCC

InChI

InChI=1S/C15H22BrN5O2S/c1-4-22-13-9-11(8-12(16)14(13)23-5-2)10-17-6-7-24-15-18-19-20-21(15)3/h8-9,17H,4-7,10H2,1-3H3

InChI Key

DLYIJNCVLVXFAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07407156

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

416.34

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

2.306

Distribution Coefficient, logD

-1.990

Water Solubility, LogSw

-2.58

Polar Surface Area

66.696

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with D175-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0041?
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What is the minimum amount of D175-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0041
  • 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 D175-0041 available by request