SB15-1196 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

SB15-1196 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide
SB15-1196 Screening compound: N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB15-1196
N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

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

SB15-1196

Molecular Formula

C21H31N3O5 (C21 H31 N3 O5)

Compound Name

N-(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

IUPAC name

N-{1-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]piperidin-3-yl}-N-(oxan-4-yl)cyclopropanecarboxamide

SMILES

Cc1c(COC)c(C(N(CCC2)CC2N(C2CCOCC2)C(C2CC2)=O)=O)no1

InChI

InChI=1S/C21H31N3O5/c1-14-18(13-27-2)19(22-29-14)21(26)23-9-3-4-17(12-23)24(20(25)15-5-6-15)16-7-10-28-11-8-16/h15-17H,3-13H2,1-2H3/t17-/m0/s1

InChI Key

JQZVGKXLFKWQNY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32245890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.144

Distribution Coefficient, logD

1.144

Water Solubility, LogSw

-1.19

Polar Surface Area

70.252

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

SB15-1196 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 SB15-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB15-1196?
Check Price and Availability of SB15-1196, 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 SB15-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB15-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB15-1196
  • 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 SB15-1196 available by request