SC73-0455 Screening compound: 1'-methyl-N~1~-(2-phenylethyl)-N~3~'-(propan-2-yl)-4',7'-dihydro-1H,1'H-spiro[piperidine-4,6'-pyrano[4,3-c]pyrazole]-1,3'-dicarboxamide

SC73-0455 Screening compound: 1'-methyl-N~1~-(2-phenylethyl)-N~3~'-(propan-2-yl)-4',7'-dihydro-1H,1'H-spiro[piperidine-4,6'-pyrano[4,3-c]pyrazole]-1,3'-dicarboxamide
SC73-0455 Screening compound: 1'-methyl-N~1~-(2-phenylethyl)-N~3~'-(propan-2-yl)-4',7'-dihydro-1H,1'H-spiro[piperidine-4,6'-pyrano[4,3-c]pyrazole]-1,3'-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC73-0455
1'-methyl-N~1~-(2-phenylethyl)-N~3~'-(propan-2-yl)-4',7'-dihydro-1H,1'H-spiro[piperidine-4,6'-pyrano[4,3-c]pyrazole]-1,3'-dicarboxamide

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

SC73-0455

Molecular Formula

C24H33N5O3 (C24 H33 N5 O3)

Compound Name

1'-methyl-N~1~-(2-phenylethyl)-N~3~'-(propan-2-yl)-4',7'-dihydro-1H,1'H-spiro[piperidine-4,6'-pyrano[4,3-c]pyrazole]-1,3'-dicarboxamide

IUPAC name

1'-methyl-N1-(2-phenylethyl)-N3'-(propan-2-yl)-4'7'-dihydro-1'H-spiro[piperidine-46'-pyrano[43-c]pyrazole]-13'-dicarboxamide

SMILES

CC(C)NC(c1nn(C)c2c1COC(CC1)(CCN1C(NCCc1ccccc1)=O)C2)=O

InChI

InChI=1S/C24H33N5O3/c1-17(2)26-22(30)21-19-16-32-24(15-20(19)28(3)27-21)10-13-29(14-11-24)23(31)25-12-9-18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3,(H,25,31)(H,26,30)

InChI Key

YPCJKICYLHFJPP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.01

Polar Surface Area

72.376

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.17

SC73-0455 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 SC73-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC73-0455?
Check Price and Availability of SC73-0455, 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 SC73-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC73-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC73-0455
  • 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 SC73-0455 available by request