4456-3132 Screening compound: ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-1-benzofuran-3-carboxylate

4456-3132 Screening compound: ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-1-benzofuran-3-carboxylate
4456-3132 Screening compound: ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3132
ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-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

4456-3132

Molecular Formula

C22H22N2O8S (C22 H22 N2 O8 S)

Compound Name

ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-1-benzofuran-3-carboxylate

IUPAC name

ethyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)butanamido]-1-benzofuran-3-carboxylate

SMILES

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

InChI

InChI=1S/C22H22N2O8S/c1-4-7-20(25)23(33(29,30)17-9-6-8-16(12-17)24(27)28)15-10-11-19-18(13-15)21(14(3)32-19)22(26)31-5-2/h6,8-13H,4-5,7H2,1-3H3

InChI Key

IWPPEKIZDSGOBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.47

Polar Surface Area

107.373

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-16.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4456-3132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3132?
Check Price and Availability of 4456-3132, 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 4456-3132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3132
  • 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 4456-3132 available by request