3461-2918 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide

3461-2918 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide
3461-2918 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2918
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide

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

3461-2918

Molecular Formula

C21H20N2O7S (C21 H20 N2 O7 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)butanamide

SMILES

CCCC(N(c(cc1)cc2c1oc(C)c2C(C)=O)S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C21H20N2O7S/c1-4-6-20(25)22(31(28,29)17-8-5-7-16(11-17)23(26)27)15-9-10-19-18(12-15)21(13(2)24)14(3)30-19/h5,7-12H,4,6H2,1-3H3

InChI Key

KZDUBDRAZZSFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.14

Polar Surface Area

100.446

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-17.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3461-2918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2918?
Check Price and Availability of 3461-2918, 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 3461-2918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2918
  • 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 3461-2918 available by request