E532-1497 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1497 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1497 Screening compound: N-{4-[(butan-2-yl)carbamoyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1497
N-{4-[(butan-2-yl)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

E532-1497

Molecular Formula

C17H22N2O3S (C17 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c(cc1)ccc1NC(C1=C(C)OCCS1)=O)=O

InChI

InChI=1S/C17H22N2O3S/c1-4-11(2)18-16(20)13-5-7-14(8-6-13)19-17(21)15-12(3)22-9-10-23-15/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)/t11-/m0/s1

InChI Key

GNQMSDXVNNKZOW-NSHDSACASA-N

MDL Number (MFCD)

MFCD14895696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.195

Water Solubility, LogSw

-2.64

Polar Surface Area

55.727

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

E532-1497 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E532-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1497?
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What is the minimum amount of E532-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1497
  • 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 E532-1497 available by request