2001-0125 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1H-1,3-benzodiazole

2001-0125 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1H-1,3-benzodiazole
2001-0125 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[2-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0125
1-[2-(4-methylphenoxy)ethyl]-2-{[2-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)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

2001-0125

Molecular Formula

C34H34N4O2S2 (C34 H34 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCn1c(SCCSc2nc(cccc3)c3n2CCOc2ccc(C)cc2)nc2c1cccc2

InChI

InChI=1S/C34H34N4O2S2/c1-25-11-15-27(16-12-25)39-21-19-37-31-9-5-3-7-29(31)35-33(37)41-23-24-42-34-36-30-8-4-6-10-32(30)38(34)20-22-40-28-17-13-26(2)14-18-28/h3-18H,19-24H2,1-2H3

InChI Key

DAFSZCDZWMVEOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.123

Distribution Coefficient, logD

9.123

Water Solubility, LogSw

-5.95

Polar Surface Area

35.780

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2001-0125 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2001-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0125?
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What is the minimum amount of 2001-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0125
  • 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 2001-0125 available by request