E532-1506 Screening compound: N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1506 Screening compound: N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1506 Screening compound: N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1506
N-(4-{[2-(4-chlorophenyl)ethyl]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

E532-1506

Molecular Formula

C21H21ClN2O3S (C21 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

N-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cc2)ccc2C(NCCc(cc2)ccc2Cl)=O)=O)SCCO1

InChI

InChI=1S/C21H21ClN2O3S/c1-14-19(28-13-12-27-14)21(26)24-18-8-4-16(5-9-18)20(25)23-11-10-15-2-6-17(22)7-3-15/h2-9H,10-13H2,1H3,(H,23,25)(H,24,26)

InChI Key

AMYLCHSPUWHBGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-3.57

Polar Surface Area

55.855

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E532-1506 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with E532-1506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1506?
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What is the minimum amount of E532-1506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1506
  • 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 E532-1506 available by request