G935-0601 Screening compound: 2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

G935-0601 Screening compound: 2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
G935-0601 Screening compound: 2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G935-0601
2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

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

G935-0601

Molecular Formula

C23H38N6O4S (C23 H38 N6 O4 S)

Compound Name

2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(4-{[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-35-dimethyl-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CCN(CC1)CCN1C(C(CC1)CCN1S(c1c(C)n(CC(N2CCCC2)=O)nc1C)(=O)=O)=O

InChI

InChI=1S/C23H38N6O4S/c1-4-25-13-15-27(16-14-25)23(31)20-7-11-28(12-8-20)34(32,33)22-18(2)24-29(19(22)3)17-21(30)26-9-5-6-10-26/h20H,4-17H2,1-3H3

InChI Key

PFCKCTOITYNOEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15075947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.313

Distribution Coefficient, logD

-0.753

Water Solubility, LogSw

-1.09

Polar Surface Area

83.175

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.30

G935-0601 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 G935-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G935-0601?
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What is the minimum amount of G935-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G935-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G935-0601
  • 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 G935-0601 available by request