G935-0063 Screening compound: 2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide

G935-0063 Screening compound: 2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide
G935-0063 Screening compound: 2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G935-0063
2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide

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

G935-0063

Molecular Formula

C23H39N5O4S (C23 H39 N5 O4 S)

Compound Name

2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,5-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide

IUPAC name

2-(4-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-35-dimethyl-1H-pyrazol-1-yl)-N-tert-butylacetamide

SMILES

CC(C)(C)NC(Cn1nc(C)c(S(N(CC2)CCC2C(N2CCCCCC2)=O)(=O)=O)c1C)=O

InChI

InChI=1S/C23H39N5O4S/c1-17-21(18(2)28(25-17)16-20(29)24-23(3,4)5)33(31,32)27-14-10-19(11-15-27)22(30)26-12-8-6-7-9-13-26/h19H,6-16H2,1-5H3,(H,24,29)

InChI Key

YOKASDWYKRKQNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15075919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.51

Polar Surface Area

86.777

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.30

G935-0063 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 G935-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G935-0063?
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What is the minimum amount of G935-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G935-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G935-0063
  • 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 G935-0063 available by request