4100-3235 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide

4100-3235 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
4100-3235 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3235
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide

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

4100-3235

Molecular Formula

C16H13N3O6S2 (C16 H13 N3 O6 S2)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide

SMILES

COc(ccc(C(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H13N3O6S2/c1-25-13-6-3-9(7-12(13)19(21)22)15(20)18-16-17-11-5-4-10(27(2,23)24)8-14(11)26-16/h3-8H,1-2H3,(H,17,18,20)

InChI Key

CHEMGCOJECDEFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-3.03

Polar Surface Area

103.551

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4100-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3235?
Check Price and Availability of 4100-3235, 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 4100-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3235
  • 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 4100-3235 available by request