G935-0657 Screening compound: 2-(3,5-dimethyl-4-{[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

G935-0657 Screening compound: 2-(3,5-dimethyl-4-{[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
G935-0657 Screening compound: 2-(3,5-dimethyl-4-{[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G935-0657
2-(3,5-dimethyl-4-{[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-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

G935-0657

Molecular Formula

C21H33N5O5S (C21 H33 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(CC(N1CCCC1)=O)nc1C)c1S(N(CC1)CCC1C(N1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C21H33N5O5S/c1-16-20(17(2)26(22-16)15-19(27)23-7-3-4-8-23)32(29,30)25-9-5-18(6-10-25)21(28)24-11-13-31-14-12-24/h18H,3-15H2,1-2H3

InChI Key

RHQHBBXBRJHLIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15075949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.635

Distribution Coefficient, logD

-0.635

Water Solubility, LogSw

-1.05

Polar Surface Area

87.546

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

G935-0657 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 G935-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G935-0657?
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What is the minimum amount of G935-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G935-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G935-0657
  • 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 G935-0657 available by request