3461-0342 Screening compound: 2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

3461-0342 Screening compound: 2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
3461-0342 Screening compound: 2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0342
2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-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

3461-0342

Molecular Formula

C19H17ClN2O8S (C19 H17 ClN2 O8 S)

Compound Name

2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-methoxyethyl 5-(4-chloro-3-nitrobenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OCCOC)=O)c(cc(cc2)NS(c(cc3)cc([N+]([O-])=O)c3Cl)(=O)=O)c2o1

InChI

InChI=1S/C19H17ClN2O8S/c1-11-18(19(23)29-8-7-28-2)14-9-12(3-6-17(14)30-11)21-31(26,27)13-4-5-15(20)16(10-13)22(24)25/h3-6,9-10,21H,7-8H2,1-2H3

InChI Key

LGQJDLILRZQIDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.87

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-4.01

Polar Surface Area

111.306

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-14.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 3461-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0342?
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What is the minimum amount of 3461-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0342
  • 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 3461-0342 available by request