SC19-0618 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}-3,5-dimethyl-4-isoxazolesulfonamide

SC19-0618 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}-3,5-dimethyl-4-isoxazolesulfonamide
SC19-0618 Screening compound: N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}-3,5-dimethyl-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0618
N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}-3,5-dimethyl-4-isoxazolesulfonamide

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

SC19-0618

Molecular Formula

C19H29N5O4S (C19 H29 N5 O4 S)

Compound Name

N-{1-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-4-piperidyl}-3,5-dimethyl-4-isoxazolesulfonamide

IUPAC name

N-[1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)piperidin-4-yl]-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

CCn1nc(CN(CC2)CCC2NS(c2c(C)onc2C)(=O)=O)c2c1CCOC2

InChI

InChI=1S/C19H29N5O4S/c1-4-24-18-7-10-27-12-16(18)17(20-24)11-23-8-5-15(6-9-23)22-29(25,26)19-13(2)21-28-14(19)3/h15,22H,4-12H2,1-3H3

InChI Key

HKZSDWCEESOZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32257006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.192

Distribution Coefficient, logD

-4.891

Water Solubility, LogSw

-1.79

Polar Surface Area

90.793

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

12.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

SC19-0618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC19-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0618?
Check Price and Availability of SC19-0618, 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 SC19-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0618
  • 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 SC19-0618 available by request