E532-1508 Screening compound: N-[4-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1508 Screening compound: N-[4-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1508 Screening compound: N-[4-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1508
N-[4-(cyclopentylcarbamoyl)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

E532-1508

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

N-[4-(cyclopentylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-[4-(cyclopentylcarbamoyl)phenyl]-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cc2)ccc2C(NC2CCCC2)=O)=O)SCCO1

InChI

InChI=1S/C18H22N2O3S/c1-12-16(24-11-10-23-12)18(22)20-15-8-6-13(7-9-15)17(21)19-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,19,21)(H,20,22)

InChI Key

WWJYXVRSOSKPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

1.793

Water Solubility, LogSw

-2.72

Polar Surface Area

56.105

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E532-1508 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E532-1508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1508?
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What is the minimum amount of E532-1508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1508
  • 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 E532-1508 available by request