3448-9027 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetamide

3448-9027 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetamide
3448-9027 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-9027
2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetamide

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

3448-9027

Molecular Formula

C17H16ClN3O2S (C17 H16 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(Cn1c(SCCOc(cc2)ccc2Cl)nc2c1cccc2)=O

InChI

InChI=1S/C17H16ClN3O2S/c18-12-5-7-13(8-6-12)23-9-10-24-17-20-14-3-1-2-4-15(14)21(17)11-16(19)22/h1-8H,9-11H2,(H2,19,22)

InChI Key

YOQREOADLMSWKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.79

Polar Surface Area

51.555

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3448-9027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-9027?
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What is the minimum amount of 3448-9027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-9027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-9027
  • 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 3448-9027 available by request