8014-1173 Screening compound: methyl N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)carbamate

8014-1173 Screening compound: methyl N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)carbamate
8014-1173 Screening compound: methyl N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1173
methyl N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)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

8014-1173

Molecular Formula

C16H16N2O6S (C16 H16 N2 O6 S)

Compound Name

methyl N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)carbamate

IUPAC name

methyl N-(4-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}phenyl)carbamate

SMILES

COC(Nc(cc1)ccc1S(NCc(cc1)cc2c1OCO2)(=O)=O)=O

InChI

InChI=1S/C16H16N2O6S/c1-22-16(19)18-12-3-5-13(6-4-12)25(20,21)17-9-11-2-7-14-15(8-11)24-10-23-14/h2-8,17H,9-10H2,1H3,(H,18,19)

InChI Key

FCVVVBXZMNMWDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-3.00

Polar Surface Area

90.976

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8014-1173 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1173?
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What is the minimum amount of 8014-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1173
  • 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 8014-1173 available by request