D011-2847 Screening compound: 5-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

D011-2847 Screening compound: 5-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
D011-2847 Screening compound: 5-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2847
5-methyl-2-{[2-(4-methylphenoxy)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

D011-2847

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCSc1nc(cc(C)cc2)c2[nH]1

InChI

InChI=1S/C17H18N2OS/c1-12-3-6-14(7-4-12)20-9-10-21-17-18-15-8-5-13(2)11-16(15)19-17/h3-8,11H,9-10H2,1-2H3,(H,18,19)

InChI Key

ROOAGIFHHNGODL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04337060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.26

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D011-2847 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 D011-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2847?
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What is the minimum amount of D011-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2847
  • 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 D011-2847 available by request