5591-0010 Screening compound: phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)carbamate

5591-0010 Screening compound: phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)carbamate
5591-0010 Screening compound: phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-0010
phenyl N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(3-nitrobenzenesulfonyl)carbamate

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

5591-0010

Molecular Formula

C24H18N2O8S (C24 H18 N2 O8 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(Oc1ccccc1)=O)S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C24H18N2O8S/c1-15(27)23-16(2)33-22-12-11-17(14-21(22)23)25(24(28)34-19-8-4-3-5-9-19)35(31,32)20-10-6-7-18(13-20)26(29)30/h3-14H,1-2H3

InChI Key

PUECTSGGWPAJDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02106385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.70

Polar Surface Area

106.650

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-17.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 5591-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-0010?
Check Price and Availability of 5591-0010, 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 5591-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-0010
  • 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 5591-0010 available by request