D347-0687 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

D347-0687 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
D347-0687 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0687
2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

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

D347-0687

Molecular Formula

C18H17ClN2O3S (C18 H17 ClN2 O3 S)

Compound Name

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

IUPAC name

2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetic acid

SMILES

Cc(cc(cc1)OCCSc2nc(cccc3)c3n2CC(O)=O)c1Cl

InChI

InChI=1S/C18H17ClN2O3S/c1-12-10-13(6-7-14(12)19)24-8-9-25-18-20-15-4-2-3-5-16(15)21(18)11-17(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)

InChI Key

FGSWMMRHNQEBQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10044572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

0.034

Water Solubility, LogSw

-3.92

Polar Surface Area

46.551

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D347-0687 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D347-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0687?
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What is the minimum amount of D347-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0687
  • 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 D347-0687 available by request