E589-1673 Screening compound: N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

E589-1673 Screening compound: N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
E589-1673 Screening compound: N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1673
N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

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

E589-1673

Molecular Formula

C23H26ClN3O5S (C23 H26 ClN3 O5 S)

Compound Name

N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

IUPAC name

N-(4-chloro-2-methylphenyl)-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(Nc(cc3)c(C)cc3Cl)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C23H26ClN3O5S/c1-15-7-9-26(10-8-15)33(30,31)18-4-6-21-20(12-18)27(23(29)14-32-21)13-22(28)25-19-5-3-17(24)11-16(19)2/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,25,28)

InChI Key

GBPJYGQACGWJPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.29

Polar Surface Area

78.231

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E589-1673 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E589-1673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1673?
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What is the minimum amount of E589-1673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1673
  • 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 E589-1673 available by request