G402-0849 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

G402-0849 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate
G402-0849 Screening compound: ethyl 3-{3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G402-0849
ethyl 3-{3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

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

G402-0849

Molecular Formula

C22H30N4O5S (C22 H30 N4 O5 S)

Compound Name

ethyl 3-{3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

IUPAC name

ethyl 3-{3-[35-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate

SMILES

CCOC(c1cccc(NC(CCn2nc(C)c(S(N3CCCCC3)(=O)=O)c2C)=O)c1)=O

InChI

InChI=1S/C22H30N4O5S/c1-4-31-22(28)18-9-8-10-19(15-18)23-20(27)11-14-26-17(3)21(16(2)24-26)32(29,30)25-12-6-5-7-13-25/h8-10,15H,4-7,11-14H2,1-3H3,(H,23,27)

InChI Key

XVPSVESZQIPUEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.92

Polar Surface Area

90.113

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G402-0849 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G402-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G402-0849?
Check Price and Availability of G402-0849, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G402-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G402-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G402-0849
  • 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 G402-0849 available by request