8018-1092 Screening compound: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide

8018-1092 Screening compound: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide
8018-1092 Screening compound: 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1092
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-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

8018-1092

Molecular Formula

C20H27FN4O3S (C20 H27 FN4 O3 S)

Compound Name

1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide

IUPAC name

1-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-fluoro-5-methylphenyl)piperidine-4-carboxamide

SMILES

CCn1nc(C)c(S(N(CC2)CCC2C(Nc(cc(C)cc2)c2F)=O)(=O)=O)c1C

InChI

InChI=1S/C20H27FN4O3S/c1-5-25-15(4)19(14(3)23-25)29(27,28)24-10-8-16(9-11-24)20(26)22-18-12-13(2)6-7-17(18)21/h6-7,12,16H,5,8-11H2,1-4H3,(H,22,26)

InChI Key

YVUDHHHYWOZZME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.74

Polar Surface Area

68.621

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8018-1092 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 8018-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1092?
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What is the minimum amount of 8018-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1092
  • 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 8018-1092 available by request