D272-0552 Screening compound: ({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

D272-0552 Screening compound: ({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine
D272-0552 Screening compound: ({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0552
({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})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

D272-0552

Molecular Formula

C19H22ClN5OS (C19 H22 ClN5 OS)

Compound Name

({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl})amine

IUPAC name

({3-[(2-chlorophenyl)methoxy]phenyl}methyl)({3-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]propyl})amine

SMILES

Cn1nnnc1SCCCNCc1cccc(OCc(cccc2)c2Cl)c1

InChI

InChI=1S/C19H22ClN5OS/c1-25-19(22-23-24-25)27-11-5-10-21-13-15-6-4-8-17(12-15)26-14-16-7-2-3-9-18(16)20/h2-4,6-9,12,21H,5,10-11,13-14H2,1H3

InChI Key

XYCGAHJDVGYNKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434563

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

-0.578

Water Solubility, LogSw

-3.58

Polar Surface Area

59.417

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D272-0552 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 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 D272-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0552?
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What is the minimum amount of D272-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0552
  • 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 D272-0552 available by request