6791-0030 Screening compound: 4-methyl-3-nitro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

6791-0030 Screening compound: 4-methyl-3-nitro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide
6791-0030 Screening compound: 4-methyl-3-nitro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6791-0030
4-methyl-3-nitro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

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

6791-0030

Molecular Formula

C18H12N2O6S2 (C18 H12 N2 O6 S2)

Compound Name

4-methyl-3-nitro-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

IUPAC name

4-methyl-3-nitro-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}benzene-1-sulfonamide

SMILES

Cc(ccc(S(Nc(c1ccccc11)cc(S2)c1OC2=O)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H12N2O6S2/c1-10-6-7-11(8-15(10)20(22)23)28(24,25)19-14-9-16-17(26-18(21)27-16)13-5-3-2-4-12(13)14/h2-9,19H,1H3

InChI Key

KOXPNDASOACCCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-4.48

Polar Surface Area

94.756

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-12.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6791-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6791-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6791-0030?
Check Price and Availability of 6791-0030, 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 6791-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6791-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6791-0030
  • 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 6791-0030 available by request