D215-0190 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D215-0190 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D215-0190 Screening compound: {[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D215-0190
{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-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

D215-0190

Molecular Formula

C21H20ClN5OS (C21 H20 ClN5 OS)

Compound Name

{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

{[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl}({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cc(c(-c1ccc(CNCCSc2nnnn2-c2ccccc2)o1)ccc1)c1Cl

InChI

InChI=1S/C21H20ClN5OS/c1-15-18(8-5-9-19(15)22)20-11-10-17(28-20)14-23-12-13-29-21-24-25-26-27(21)16-6-3-2-4-7-16/h2-11,23H,12-14H2,1H3

InChI Key

MMZPFENYZISTGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434470

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

425.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-4.84

Polar Surface Area

59.337

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D215-0190 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 D215-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D215-0190?
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What is the minimum amount of D215-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D215-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D215-0190
  • 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 D215-0190 available by request