E245-1591 Screening compound: N-(morpholin-4-yl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

E245-1591 Screening compound: N-(morpholin-4-yl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
E245-1591 Screening compound: N-(morpholin-4-yl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-1591
N-(morpholin-4-yl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-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

E245-1591

Molecular Formula

C18H24N4O6S (C18 H24 N4 O6 S)

Compound Name

N-(morpholin-4-yl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-(morpholin-4-yl)-1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)NN1CCOCC1

InChI

InChI=1S/C18H24N4O6S/c23-17-12-28-16-2-1-14(11-15(16)19-17)29(25,26)22-5-3-13(4-6-22)18(24)20-21-7-9-27-10-8-21/h1-2,11,13H,3-10,12H2,(H,19,23)(H,20,24)

InChI Key

SQIXZQGTWRBBEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.494

Distribution Coefficient, logD

-0.494

Water Solubility, LogSw

-2.31

Polar Surface Area

102.181

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E245-1591 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E245-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-1591?
Check Price and Availability of E245-1591, 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 E245-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-1591
  • 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 E245-1591 available by request