4327-3005 Screening compound: 2-({1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetic acid

4327-3005 Screening compound: 2-({1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetic acid
4327-3005 Screening compound: 2-({1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3005
2-({1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)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

4327-3005

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCCn1c(SCC(O)=O)nc2c1cccc2

InChI

InChI=1S/C18H18N2O3S/c1-13-6-2-5-9-16(13)23-11-10-20-15-8-4-3-7-14(15)19-18(20)24-12-17(21)22/h2-9H,10-12H2,1H3,(H,21,22)

InChI Key

WVQOZCSNHXAYHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01128202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

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

3.938

Distribution Coefficient, logD

0.494

Water Solubility, LogSw

-3.93

Polar Surface Area

46.616

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4327-3005 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4327-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3005?
Check Price and Availability of 4327-3005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4327-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3005
  • 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 4327-3005 available by request