2318-0413 Screening compound: ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-1-benzofuran-3-carboxylate

2318-0413 Screening compound: ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-1-benzofuran-3-carboxylate
2318-0413 Screening compound: ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2318-0413
ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-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

2318-0413

Molecular Formula

C30H22N2O9S (C30 H22 N2 O9 S)

Compound Name

ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[N-(phenoxycarbonyl)3-nitrobenzenesulfonamido]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2N(C(Oc1ccccc1)=O)S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C30H22N2O9S/c1-2-39-29(33)27-25-19-21(16-17-26(25)41-28(27)20-10-5-3-6-11-20)31(30(34)40-23-13-7-4-8-14-23)42(37,38)24-15-9-12-22(18-24)32(35)36/h3-19H,2H2,1H3

InChI Key

UWOIBGVSUDOKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-5.84

Polar Surface Area

113.884

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-16.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 2318-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2318-0413?
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What is the minimum amount of 2318-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2318-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2318-0413
  • 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 2318-0413 available by request