0337-0599 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole

0337-0599 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole
0337-0599 Screening compound: 1-(4-chlorobenzenesulfonyl)-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0337-0599
1-(4-chlorobenzenesulfonyl)-2-[(2,4-dichlorophenoxy)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

0337-0599

Molecular Formula

C20H13Cl3N2O3S (C20 H13 Cl3 N2 O3 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

1-(4-chlorobenzenesulfonyl)-2-[(24-dichlorophenoxy)methyl]-1H-13-benzodiazole

SMILES

O=S(c(cc1)ccc1Cl)(n1c(cccc2)c2nc1COc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C20H13Cl3N2O3S/c21-13-5-8-15(9-6-13)29(26,27)25-18-4-2-1-3-17(18)24-20(25)12-28-19-10-7-14(22)11-16(19)23/h1-11H,12H2

InChI Key

DMWBKBDSTWUHKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-6.23

Polar Surface Area

44.844

Acid Dissociation Constant (pKa)

32.12

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 0337-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0337-0599?
Check Price and Availability of 0337-0599, 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 0337-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0337-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0337-0599
  • 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 0337-0599 available by request