E734-1898 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide

E734-1898 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide
E734-1898 Screening compound: 2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1898
2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)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

E734-1898

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

2-[6-(cyclopentylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-[6-(cyclopentylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CN2c(cc(cc3)S(NC4CCCC4)(=O)=O)c3OCC2=O)=O)cc(C)c1

InChI

InChI=1S/C23H27N3O5S/c1-15-9-16(2)11-18(10-15)24-22(27)13-26-20-12-19(7-8-21(20)31-14-23(26)28)32(29,30)25-17-5-3-4-6-17/h7-12,17,25H,3-6,13-14H2,1-2H3,(H,24,27)

InChI Key

YQYMLXZDMLBVOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

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

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.95

Polar Surface Area

89.281

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E734-1898 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E734-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1898?
Check Price and Availability of E734-1898, 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 E734-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1898
  • 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 E734-1898 available by request