E734-1872 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-methylphenyl)acetamide

E734-1872 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-methylphenyl)acetamide
E734-1872 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1872
2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-methylphenyl)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

E734-1872

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-methylphenyl)acetamide

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN1c(cc(cc2)S(NC3CCCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C22H25N3O5S/c1-15-6-2-5-9-18(15)23-21(26)13-25-19-12-17(10-11-20(19)30-14-22(25)27)31(28,29)24-16-7-3-4-8-16/h2,5-6,9-12,16,24H,3-4,7-8,13-14H2,1H3,(H,23,26)

InChI Key

YETNJRLMVVPMDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.748

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.29

Polar Surface Area

88.583

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with E734-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1872?
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What is the minimum amount of E734-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1872
  • 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 E734-1872 available by request