SC01-0116 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide

SC01-0116 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide
SC01-0116 Screening compound: N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC01-0116
N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide

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

SC01-0116

Molecular Formula

C19H25N7O3 (C19 H25 N7 O3)

Compound Name

N-{2-[5-(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide

IUPAC name

N-[2-(5-{1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-124-oxadiazol-3-yl)ethyl]-N-methyl-3-(1H-pyrazol-1-yl)propanamide

SMILES

CCn(c1c2COCC1)nc2-c1nc(CCN(C)C(CCn2nccc2)=O)no1

InChI

InChI=1S/C19H25N7O3/c1-3-26-15-7-12-28-13-14(15)18(22-26)19-21-16(23-29-19)5-10-24(2)17(27)6-11-25-9-4-8-20-25/h4,8-9H,3,5-7,10-13H2,1-2H3

InChI Key

KIDUEQSFPVEZHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.141

Distribution Coefficient, logD

-0.141

Water Solubility, LogSw

0.23

Polar Surface Area

86.064

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

SC01-0116 in Drug Discovery

Included in Screening Libraries

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 SC01-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC01-0116?
Check Price and Availability of SC01-0116, 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 SC01-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC01-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC01-0116
  • 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 SC01-0116 available by request