G680-0275 Screening compound: 1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

G680-0275 Screening compound: 1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
G680-0275 Screening compound: 1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0275
1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

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

G680-0275

Molecular Formula

C17H19F2N3O3S (C17 H19 F2 N3 O3 S)

Compound Name

1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

IUPAC name

1-{[1-(26-difluorobenzoyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

SMILES

Cc(n(C(c(c(F)ccc1)c1F)=O)nc1C)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C17H19F2N3O3S/c1-11-16(26(24,25)21-9-4-3-5-10-21)12(2)22(20-11)17(23)15-13(18)7-6-8-14(15)19/h6-8H,3-5,9-10H2,1-2H3

InChI Key

IBNCONKQFPZCGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-2.33

Polar Surface Area

59.563

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G680-0275 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 G680-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0275?
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What is the minimum amount of G680-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0275
  • 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 G680-0275 available by request