1497-0290 Screening compound: methyl N-{4-[(2-hydroxyethyl)(2,2,3,3-tetrafluoropropyl)sulfamoyl]phenyl}carbamate

1497-0290 Screening compound: methyl N-{4-[(2-hydroxyethyl)(2,2,3,3-tetrafluoropropyl)sulfamoyl]phenyl}carbamate
1497-0290 Screening compound: methyl N-{4-[(2-hydroxyethyl)(2,2,3,3-tetrafluoropropyl)sulfamoyl]phenyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1497-0290
methyl N-{4-[(2-hydroxyethyl)(2,2,3,3-tetrafluoropropyl)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

1497-0290

Molecular Formula

C13H16F4N2O5S (C13 H16 F4 N2 O5 S)

Compound Name

methyl N-{4-[(2-hydroxyethyl)(2,2,3,3-tetrafluoropropyl)sulfamoyl]phenyl}carbamate

IUPAC name

methyl N-{4-[(2-hydroxyethyl)(2233-tetrafluoropropyl)sulfamoyl]phenyl}carbamate

SMILES

COC(Nc(cc1)ccc1S(N(CCO)CC(C(F)F)(F)F)(=O)=O)=O

InChI

InChI=1S/C13H16F4N2O5S/c1-24-12(21)18-9-2-4-10(5-3-9)25(22,23)19(6-7-20)8-13(16,17)11(14)15/h2-5,11,20H,6-8H2,1H3,(H,18,21)

InChI Key

KRPQBYLBORDOBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00856994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-2.41

Polar Surface Area

80.383

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

1497-0290 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1497-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1497-0290?
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What is the minimum amount of 1497-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1497-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1497-0290
  • 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 1497-0290 available by request