G680-0172 Screening compound: 1-{[1-(2,3-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

G680-0172 Screening compound: 1-{[1-(2,3-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
G680-0172 Screening compound: 1-{[1-(2,3-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0172
1-{[1-(2,3-dimethoxybenzoyl)-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

G680-0172

Molecular Formula

C19H25N3O5S (C19 H25 N3 O5 S)

Compound Name

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

IUPAC name

1-{[1-(23-dimethoxybenzoyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine

SMILES

Cc(n(C(c(cccc1OC)c1OC)=O)nc1C)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C19H25N3O5S/c1-13-18(28(24,25)21-11-6-5-7-12-21)14(2)22(20-13)19(23)15-9-8-10-16(26-3)17(15)27-4/h8-10H,5-7,11-12H2,1-4H3

InChI Key

LRLMIEFYZFHJOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.30

Polar Surface Area

74.911

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

G680-0172 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 G680-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0172?
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What is the minimum amount of G680-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0172
  • 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 G680-0172 available by request