5692-0141 Screening compound: 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole

5692-0141 Screening compound: 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole
5692-0141 Screening compound: 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5692-0141
2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-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

5692-0141

Molecular Formula

C16H14ClFN2S (C16 H14 ClFN2 S)

Compound Name

2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(c(C)c1)cc([nH]2)c1nc2SCc(ccc(Cl)c1)c1F

InChI

InChI=1S/C16H14ClFN2S/c1-9-5-14-15(6-10(9)2)20-16(19-14)21-8-11-3-4-12(17)7-13(11)18/h3-7H,8H2,1-2H3,(H,19,20)

InChI Key

ICYSXZRLKWTUET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-6.03

Polar Surface Area

17.980

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5692-0141 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 5692-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5692-0141?
Check Price and Availability of 5692-0141, 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 5692-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5692-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5692-0141
  • 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 5692-0141 available by request