G305-1096 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

G305-1096 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
G305-1096 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G305-1096
N-[(2,5-dimethoxyphenyl)methyl]-1-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

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

G305-1096

Molecular Formula

C22H25N3O7S (C22 H25 N3 O7 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-1-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-1-[(2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

COc(cc1)cc(CNC(C(CC2)CCN2S(c(cc2)cc(O3)c2NC3=O)(=O)=O)=O)c1OC

InChI

InChI=1S/C22H25N3O7S/c1-30-16-3-6-19(31-2)15(11-16)13-23-21(26)14-7-9-25(10-8-14)33(28,29)17-4-5-18-20(12-17)32-22(27)24-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)

InChI Key

NTKVYVBGMXHTJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14996129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.970

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.85

Polar Surface Area

104.955

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G305-1096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G305-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G305-1096?
Check Price and Availability of G305-1096, 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 G305-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G305-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G305-1096
  • 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 G305-1096 available by request