G885-0033 Screening compound: 6-{[4-(4-pyridyl)piperidino]sulfonyl}-1,3-benzoxazol-2(3H)-one

G885-0033 Screening compound: 6-{[4-(4-pyridyl)piperidino]sulfonyl}-1,3-benzoxazol-2(3H)-one
G885-0033 Screening compound: 6-{[4-(4-pyridyl)piperidino]sulfonyl}-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G885-0033
6-{[4-(4-pyridyl)piperidino]sulfonyl}-1,3-benzoxazol-2(3H)-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

G885-0033

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

6-{[4-(4-pyridyl)piperidino]sulfonyl}-1,3-benzoxazol-2(3H)-one

IUPAC name

6-{[4-(pyridin-4-yl)piperidin-1-yl]sulfonyl}-23-dihydro-13-benzoxazol-2-one

SMILES

O=C1Oc(cc(cc2)S(N(CC3)CCC3c3ccncc3)(=O)=O)c2N1

InChI

InChI=1S/C17H17N3O4S/c21-17-19-15-2-1-14(11-16(15)24-17)25(22,23)20-9-5-13(6-10-20)12-3-7-18-8-4-12/h1-4,7-8,11,13H,5-6,9-10H2,(H,19,21)

InChI Key

LBWNBUMFQSDONP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.77

Polar Surface Area

74.524

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

G885-0033 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G885-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G885-0033?
Check Price and Availability of G885-0033, 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 G885-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G885-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G885-0033
  • 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 G885-0033 available by request