D175-0020 Screening compound: ({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0020 Screening compound: ({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0020 Screening compound: ({3-bromo-4-[(2-fluorophenyl)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 D175-0020
({3-bromo-4-[(2-fluorophenyl)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

D175-0020

Molecular Formula

C19H21BrFN5O2S (C19 H21 BrFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(Br)c1OCc(cccc1)c1F

InChI

InChI=1S/C19H21BrFN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-13-9-15(20)18(17(10-13)27-2)28-12-14-5-3-4-6-16(14)21/h3-6,9-10,22H,7-8,11-12H2,1-2H3

InChI Key

WVFNMCPEUXZZRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884157

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

482.38

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

3.222

Distribution Coefficient, logD

-1.074

Water Solubility, LogSw

-3.43

Polar Surface Area

67.220

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D175-0020 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D175-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0020?
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What is the minimum amount of D175-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0020
  • 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 D175-0020 available by request