E470-1721 Screening compound: 4,6-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

E470-1721 Screening compound: 4,6-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
E470-1721 Screening compound: 4,6-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1721
4,6-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

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

E470-1721

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

4,6-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

46-dimethyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazine

SMILES

Cc(cc1N(C)CCOc1c1)c1S(N(CC1)CCN1c1ncccc1)(=O)=O

InChI

InChI=1S/C19H24N4O3S/c1-15-13-16-17(26-12-11-21(16)2)14-18(15)27(24,25)23-9-7-22(8-10-23)19-5-3-4-6-20-19/h3-6,13-14H,7-12H2,1-2H3

InChI Key

YNKAUJNHYFWTIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.19

Polar Surface Area

54.222

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E470-1721 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 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 E470-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1721?
Check Price and Availability of E470-1721, 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 E470-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1721
  • 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 E470-1721 available by request