3461-1020 Screening compound: ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

3461-1020 Screening compound: ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
3461-1020 Screening compound: ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1020
ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

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

3461-1020

Molecular Formula

C18H15ClN2O7S (C18 H15 ClN2 O7 S)

Compound Name

ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

IUPAC name

ethyl 7-chloro-2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1cc(NS(c2cc([N+]([O-])=O)ccc2)(=O)=O)c2)c(C)oc1c2Cl)=O

InChI

InChI=1S/C18H15ClN2O7S/c1-3-27-18(22)16-10(2)28-17-14(16)7-11(8-15(17)19)20-29(25,26)13-6-4-5-12(9-13)21(23)24/h4-9,20H,3H2,1-2H3

InChI Key

WKEINBLLSIPADN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02106369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.85

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-4.59

Polar Surface Area

103.204

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-14.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3461-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1020?
Check Price and Availability of 3461-1020, 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 3461-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1020
  • 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 3461-1020 available by request