2001-0036 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

2001-0036 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
2001-0036 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0036
1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

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

2001-0036

Molecular Formula

C25H26N2O2S (C25 H26 N2 O2 S)

Compound Name

1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-methylphenoxy)ethyl]-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCn1c(SCCOc2ccc(C)cc2)nc2c1cccc2

InChI

InChI=1S/C25H26N2O2S/c1-19-7-11-21(12-8-19)28-16-15-27-24-6-4-3-5-23(24)26-25(27)30-18-17-29-22-13-9-20(2)10-14-22/h3-14H,15-18H2,1-2H3

InChI Key

PJUNLHKUWJRKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.762

Distribution Coefficient, logD

6.762

Water Solubility, LogSw

-5.88

Polar Surface Area

25.291

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

2001-0036 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2001-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0036?
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What is the minimum amount of 2001-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0036
  • 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 2001-0036 available by request