G368-0041 Screening compound: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

G368-0041 Screening compound: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
G368-0041 Screening compound: 4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G368-0041
4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-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

G368-0041

Molecular Formula

C22H25N3O6 (C22 H25 N3 O6)

Compound Name

4-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

IUPAC name

4-oxo-N-(345-trimethoxyphenyl)-34-dihydrospiro[13-benzoxazine-24'-piperidine]-1'-carboxamide

SMILES

COc1cc(NC(N(CC2)CCC2(N2)Oc(cccc3)c3C2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C22H25N3O6/c1-28-17-12-14(13-18(29-2)19(17)30-3)23-21(27)25-10-8-22(9-11-25)24-20(26)15-6-4-5-7-16(15)31-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

SRQFEDGKYMYSDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-2.57

Polar Surface Area

80.920

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G368-0041 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G368-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G368-0041?
Check Price and Availability of G368-0041, 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 G368-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G368-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G368-0041
  • 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 G368-0041 available by request