G370-0254 Screening compound: N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

G370-0254 Screening compound: N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
G370-0254 Screening compound: N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G370-0254
N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-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

G370-0254

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

IUPAC name

N-(4-{[3-(3-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-56-dihydro-14-oxathiine-2-carboxamide

SMILES

CC1CN(CCCNC(c(cc2)ccc2NC(C2=CSCCO2)=O)=O)CCC1

InChI

InChI=1S/C21H29N3O3S/c1-16-4-2-10-24(14-16)11-3-9-22-20(25)17-5-7-18(8-6-17)23-21(26)19-15-28-13-12-27-19/h5-8,15-16H,2-4,9-14H2,1H3,(H,22,25)(H,23,26)/t16-/m0/s1

InChI Key

JYVRHMCWNCYLNC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15004728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

-0.617

Water Solubility, LogSw

-2.55

Polar Surface Area

61.129

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G370-0254 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with G370-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G370-0254?
Check Price and Availability of G370-0254, 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 G370-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G370-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G370-0254
  • 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 G370-0254 available by request