D011-6153 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole

D011-6153 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole
D011-6153 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6153
2-{[4-(4-methylphenoxy)butyl]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

D011-6153

Molecular Formula

C18H20N2OS (C18 H20 N2 OS)

Compound Name

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

IUPAC name

2-{[4-(4-methylphenoxy)butyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCCCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H20N2OS/c1-14-8-10-15(11-9-14)21-12-4-5-13-22-18-19-16-6-2-3-7-17(16)20-18/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,20)

InChI Key

YDFCZDQPMHLTPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06490687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.892

Water Solubility, LogSw

-4.58

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-6153 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-6153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6153?
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What is the minimum amount of D011-6153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6153
  • 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 D011-6153 available by request