E470-2201 Screening compound: 1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

E470-2201 Screening compound: 1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one
E470-2201 Screening compound: 1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-2201
1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

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

E470-2201

Molecular Formula

C14H17ClN2O4S (C14 H17 ClN2 O4 S)

Compound Name

1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethan-1-one

IUPAC name

1-[6-chloro-7-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]ethan-1-one

SMILES

CC(N(CCOc1c2)c1cc(Cl)c2S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C14H17ClN2O4S/c1-10(18)17-6-7-21-13-9-14(11(15)8-12(13)17)22(19,20)16-4-2-3-5-16/h8-9H,2-7H2,1H3

InChI Key

OJJRKUPNXSORHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.675

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-2.84

Polar Surface Area

56.319

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E470-2201 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E470-2201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-2201?
Check Price and Availability of E470-2201, 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 E470-2201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-2201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-2201
  • 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 E470-2201 available by request