C301-5511 Screening compound: ethyl 5-{[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-carboxylate

C301-5511 Screening compound: ethyl 5-{[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-carboxylate
C301-5511 Screening compound: ethyl 5-{[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5511
ethyl 5-{[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-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

C301-5511

Molecular Formula

C28H28N4O6S (C28 H28 N4 O6 S)

Compound Name

ethyl 5-{[6-(benzylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-carboxylate

IUPAC name

ethyl 5-{[6-(benzylamino)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]sulfamoyl}-3-methyl-1-benzofuran-2-carboxylate

SMILES

CCOC(c1c(C)c(cc(cc2)S(Nc(cc(c(N3C)c4)N(C)C3=O)c4NCc3ccccc3)(=O)=O)c2o1)=O

InChI

InChI=1S/C28H28N4O6S/c1-5-37-27(33)26-17(2)20-13-19(11-12-25(20)38-26)39(35,36)30-22-15-24-23(31(3)28(34)32(24)4)14-21(22)29-16-18-9-7-6-8-10-18/h6-15,29-30H,5,16H2,1-4H3

InChI Key

DGMBQASWUGTDMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-4.96

Polar Surface Area

96.691

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C301-5511 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C301-5511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5511?
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What is the minimum amount of C301-5511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5511
  • 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 C301-5511 available by request