D201-0042 Screening compound: 1-(3-methoxyphenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

D201-0042 Screening compound: 1-(3-methoxyphenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol
D201-0042 Screening compound: 1-(3-methoxyphenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D201-0042
1-(3-methoxyphenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

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

D201-0042

Molecular Formula

C19H22N2O2S (C19 H22 N2 O2 S)

Compound Name

1-(3-methoxyphenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-ol

IUPAC name

1-(3-methoxyphenyl)-2-[(1-propyl-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-ol

SMILES

CCCn1c(SCC(c2cc(OC)ccc2)O)nc2c1cccc2

InChI

InChI=1S/C19H22N2O2S/c1-3-11-21-17-10-5-4-9-16(17)20-19(21)24-13-18(22)14-7-6-8-15(12-14)23-2/h4-10,12,18,22H,3,11,13H2,1-2H3/t18-/m0/s1

InChI Key

AZVLXMZJNKJDHA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14813738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.26

Polar Surface Area

34.423

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D201-0042 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with D201-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D201-0042?
Check Price and Availability of D201-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D201-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D201-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D201-0042
  • 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 D201-0042 available by request