4683-0107F Screening compound: N~1~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydro-1-acenaphthylenyl}-1-benzenesulfonamide

4683-0107F Screening compound: N~1~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydro-1-acenaphthylenyl}-1-benzenesulfonamide
4683-0107F Screening compound: N~1~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydro-1-acenaphthylenyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4683-0107F
N~1~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydro-1-acenaphthylenyl}-1-benzenesulfonamide

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

4683-0107F

Molecular Formula

C21H18N4O2S2 (C21 H18 N4 O2 S2)

Compound Name

N~1~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydro-1-acenaphthylenyl}-1-benzenesulfonamide

IUPAC name

n/a

SMILES

Cn1c(SC(C(c2ccc3)NS(c4ccccc4)(=O)=O)c4c2c3ccc4)nnc1

InChI

InChI=1S/C21H18N4O2S2/c1-25-13-22-23-21(25)28-20-17-12-6-8-14-7-5-11-16(18(14)17)19(20)24-29(26,27)15-9-3-2-4-10-15/h2-13,19-20,24H,1H3

InChI Key

FGWXANCJYIKIKW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.27

Polar Surface Area

68.032

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 4683-0107F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4683-0107F?
Check Price and Availability of 4683-0107F, 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 4683-0107F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4683-0107F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4683-0107F
  • 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 4683-0107F available by request