E532-1813 Screening compound: N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1813 Screening compound: N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1813 Screening compound: N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1813
N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

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

E532-1813

Molecular Formula

C18H17ClN2O4S (C18 H17 ClN2 O4 S)

Compound Name

N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-(3-chloro-4-{[(furan-2-yl)methyl]carbamoyl}phenyl)-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cc2)cc(Cl)c2C(NCc2ccco2)=O)=O)SCCO1

InChI

InChI=1S/C18H17ClN2O4S/c1-11-16(26-8-7-24-11)18(23)21-12-4-5-14(15(19)9-12)17(22)20-10-13-3-2-6-25-13/h2-6,9H,7-8,10H2,1H3,(H,20,22)(H,21,23)

InChI Key

TVCZRXJPDQXVCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

1.152

Water Solubility, LogSw

-3.69

Polar Surface Area

63.762

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E532-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1813?
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What is the minimum amount of E532-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1813
  • 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 E532-1813 available by request