D047-0070 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

D047-0070 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
D047-0070 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0070
1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-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

D047-0070

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)piperidin-4-yl]-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1N(C(CC2)CCN2S(c(cc2)cc3c2OCCO3)(=O)=O)c(cccc2)c2N1

InChI

InChI=1S/C20H21N3O5S/c24-20-21-16-3-1-2-4-17(16)23(20)14-7-9-22(10-8-14)29(25,26)15-5-6-18-19(13-15)28-12-11-27-18/h1-6,13-14H,7-12H2,(H,21,24)

InChI Key

MBTPGMTUAZLFDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09379026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-3.09

Polar Surface Area

73.626

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D047-0070 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D047-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0070?
Check Price and Availability of D047-0070, 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 D047-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0070
  • 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 D047-0070 available by request