1549-0074 Screening compound: 2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-1H-1,3-benzodiazole

1549-0074 Screening compound: 2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-1H-1,3-benzodiazole
1549-0074 Screening compound: 2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1549-0074
2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-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

1549-0074

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-ethyl-1-(4-methyl-3-nitrobenzenesulfonyl)-1H-13-benzodiazole

SMILES

CCc1nc(cccc2)c2n1S(c1cc([N+]([O-])=O)c(C)cc1)(=O)=O

InChI

InChI=1S/C16H15N3O4S/c1-3-16-17-13-6-4-5-7-14(13)18(16)24(22,23)12-9-8-11(2)15(10-12)19(20)21/h4-10H,3H2,1-2H3

InChI Key

VGGBNMVEJXBHIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01218697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.29

Polar Surface Area

70.610

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1549-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1549-0074?
Check Price and Availability of 1549-0074, 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 1549-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1549-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1549-0074
  • 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 1549-0074 available by request