1803-0023 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)-1-ethanol

1803-0023 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)-1-ethanol
1803-0023 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1803-0023
2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)-1-ethanol

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

1803-0023

Molecular Formula

C17H17ClN2O2S (C17 H17 ClN2 O2 S)

Compound Name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)-1-ethanol

IUPAC name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)ethan-1-ol

SMILES

OCCn1c(SCCOc(cc2)ccc2Cl)nc2c1cccc2

InChI

InChI=1S/C17H17ClN2O2S/c18-13-5-7-14(8-6-13)22-11-12-23-17-19-15-3-1-2-4-16(15)20(17)9-10-21/h1-8,21H,9-12H2

InChI Key

DYMSVKNZQOFKCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.85

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

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.43

Polar Surface Area

34.801

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

1803-0023 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1803-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1803-0023?
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What is the minimum amount of 1803-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1803-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1803-0023
  • 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 1803-0023 available by request