SD50-0198 Screening compound: 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide

SD50-0198 Screening compound: 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
SD50-0198 Screening compound: 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD50-0198
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-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

SD50-0198

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide

IUPAC name

2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-3-oxo-1H2H3H4H5H6H7H8H-cyclohepta[c]pyrazole-6-carboxamide

SMILES

CN(CC1)CCC1NC(C(CC1)CCC(NN2c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C22H30N4O3/c1-25-13-11-16(12-14-25)23-21(27)15-3-9-19-20(10-4-15)24-26(22(19)28)17-5-7-18(29-2)8-6-17/h5-8,15-16,24H,3-4,9-14H2,1-2H3,(H,23,27)/t15-/m1/s1

InChI Key

SHYXXBSAYJVMPN-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

-1.196

Water Solubility, LogSw

-1.97

Polar Surface Area

64.699

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SD50-0198 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 SD50-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD50-0198?
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What is the minimum amount of SD50-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD50-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD50-0198
  • 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 SD50-0198 available by request