3448-7543 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-1H-1,3-benzodiazole

3448-7543 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-1H-1,3-benzodiazole
3448-7543 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7543
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-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

3448-7543

Molecular Formula

C15H12ClFN2S (C15 H12 ClFN2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc([nH]2)c1nc2SCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C15H12ClFN2S/c1-9-3-2-4-13-14(9)19-15(18-13)20-8-10-5-6-11(17)7-12(10)16/h2-7H,8H2,1H3,(H,18,19)

InChI Key

AUPPJTWFCWGSBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.79

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

4.773

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.95

Polar Surface Area

18.750

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 3448-7543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7543?
Check Price and Availability of 3448-7543, 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 3448-7543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7543
  • 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 3448-7543 available by request