D175-0061 Screening compound: ({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0061 Screening compound: ({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0061 Screening compound: ({4-[(6-chloropyridin-3-yl)methoxy]-3-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 D175-0061
({4-[(6-chloropyridin-3-yl)methoxy]-3-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

D175-0061

Molecular Formula

C18H21ClN6O2S (C18 H21 ClN6 O2 S)

Compound Name

({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

({4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc1)cc(OC)c1OCc(cc1)cnc1Cl

InChI

InChI=1S/C18H21ClN6O2S/c1-25-18(22-23-24-25)28-8-7-20-10-13-3-5-15(16(9-13)26-2)27-12-14-4-6-17(19)21-11-14/h3-6,9,11,20H,7-8,10,12H2,1-2H3

InChI Key

ICSTWBSKDRWZOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06778930

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.328

Distribution Coefficient, logD

-2.968

Water Solubility, LogSw

-2.55

Polar Surface Area

76.138

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D175-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D175-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0061?
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What is the minimum amount of D175-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0061
  • 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 D175-0061 available by request