E734-1949 Screening compound: N-benzyl-2-{6-[(cyclopentylamino)sulfonyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-ethylacetamide

E734-1949 Screening compound: N-benzyl-2-{6-[(cyclopentylamino)sulfonyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-ethylacetamide
E734-1949 Screening compound: N-benzyl-2-{6-[(cyclopentylamino)sulfonyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1949
N-benzyl-2-{6-[(cyclopentylamino)sulfonyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-ethylacetamide

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

E734-1949

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

N-benzyl-2-{6-[(cyclopentylamino)sulfonyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-ethylacetamide

IUPAC name

N-benzyl-2-[6-(cyclopentylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN1c(cc(cc2)S(NC3CCCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C24H29N3O5S/c1-2-26(15-18-8-4-3-5-9-18)23(28)16-27-21-14-20(12-13-22(21)32-17-24(27)29)33(30,31)25-19-10-6-7-11-19/h3-5,8-9,12-14,19,25H,2,6-7,10-11,15-17H2,1H3

InChI Key

IKXPOFKENGFFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.56

Polar Surface Area

81.811

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

E734-1949 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E734-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1949?
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What is the minimum amount of E734-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1949
  • 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 E734-1949 available by request