8010-0783 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-methyl-5-nitro-1H-1,3-benzodiazole

8010-0783 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-methyl-5-nitro-1H-1,3-benzodiazole
8010-0783 Screening compound: 1-(3,4-dimethylbenzenesulfonyl)-2-methyl-5-nitro-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0783
1-(3,4-dimethylbenzenesulfonyl)-2-methyl-5-nitro-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

8010-0783

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

1-(3,4-dimethylbenzenesulfonyl)-2-methyl-5-nitro-1H-1,3-benzodiazole

IUPAC name

1-(34-dimethylbenzenesulfonyl)-2-methyl-5-nitro-1H-13-benzodiazole

SMILES

Cc1nc(cc(cc2)[N+]([O-])=O)c2n1S(c1cc(C)c(C)cc1)(=O)=O

InChI

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

InChI Key

BDIPRRYTHWHVMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871041

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

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.96

Polar Surface Area

70.712

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8010-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0783?
Check Price and Availability of 8010-0783, 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 8010-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0783
  • 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 8010-0783 available by request