E557-2347 Screening compound: 1-(6-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

E557-2347 Screening compound: 1-(6-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
E557-2347 Screening compound: 1-(6-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-2347
1-(6-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]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

E557-2347

Molecular Formula

C24H27N3O5S (C24 H27 N3 O5 S)

Compound Name

1-(6-{[4-(2,3-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

1-(6-{[4-(23-dihydro-1H-indole-1-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

CC(N1c(cc(cc2)S(N(CC3)CCC3C(N(CC3)c4c3cccc4)=O)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C24H27N3O5S/c1-17(28)26-14-15-32-23-7-6-20(16-22(23)26)33(30,31)25-11-8-19(9-12-25)24(29)27-13-10-18-4-2-3-5-21(18)27/h2-7,16,19H,8-15H2,1H3

InChI Key

PUQABNHOVQBIPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.77

Polar Surface Area

71.632

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E557-2347 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E557-2347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-2347?
Check Price and Availability of E557-2347, 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 E557-2347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-2347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-2347
  • 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 E557-2347 available by request