E532-1601 Screening compound: 2-methyl-N-(4-{[2-(morpholin-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1601 Screening compound: 2-methyl-N-(4-{[2-(morpholin-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1601 Screening compound: 2-methyl-N-(4-{[2-(morpholin-4-yl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1601
2-methyl-N-(4-{[2-(morpholin-4-yl)ethyl]carbamoyl}phenyl)-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

E532-1601

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC1=C(C(Nc(cc2)ccc2C(NCCN2CCOCC2)=O)=O)SCCO1

InChI

InChI=1S/C19H25N3O4S/c1-14-17(27-13-12-26-14)19(24)21-16-4-2-15(3-5-16)18(23)20-6-7-22-8-10-25-11-9-22/h2-5H,6-13H2,1H3,(H,20,23)(H,21,24)

InChI Key

YQNNWQKNGUNHLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.297

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-2.29

Polar Surface Area

67.746

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

E532-1601 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E532-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1601?
Check Price and Availability of E532-1601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E532-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1601
  • 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 E532-1601 available by request