G805-0891 Screening compound: 6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

G805-0891 Screening compound: 6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
G805-0891 Screening compound: 6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0891
6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-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

G805-0891

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-7-{[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CC1)CCC1C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C20H27N3O5S/c1-14-11-16-17(28-13-19(24)21-16)12-18(14)29(26,27)23-9-5-15(6-10-23)20(25)22-7-3-2-4-8-22/h11-12,15H,2-10,13H2,1H3,(H,21,24)

InChI Key

IEBSPTXHLWVIPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.376

Water Solubility, LogSw

-2.31

Polar Surface Area

81.868

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G805-0891 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G805-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0891?
Check Price and Availability of G805-0891, 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 G805-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0891
  • 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 G805-0891 available by request