5591-3674 Screening compound: methyl 2-methyl-5-(2-methyl-5-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

5591-3674 Screening compound: methyl 2-methyl-5-(2-methyl-5-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
5591-3674 Screening compound: methyl 2-methyl-5-(2-methyl-5-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3674
methyl 2-methyl-5-(2-methyl-5-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

5591-3674

Molecular Formula

C18H16N2O7S (C18 H16 N2 O7 S)

Compound Name

methyl 2-methyl-5-(2-methyl-5-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

IUPAC name

methyl 2-methyl-5-(2-methyl-5-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)NS(c3c(C)ccc([N+]([O-])=O)c3)(=O)=O)c2o1

InChI

InChI=1S/C18H16N2O7S/c1-10-4-6-13(20(22)23)9-16(10)28(24,25)19-12-5-7-15-14(8-12)17(11(2)27-15)18(21)26-3/h4-9,19H,1-3H3

InChI Key

FABQQKKIGCAGLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

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

3.811

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-4.24

Polar Surface Area

103.391

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-13.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5591-3674 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5591-3674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3674?
Check Price and Availability of 5591-3674, 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 5591-3674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3674
  • 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 5591-3674 available by request