G404-0825 Screening compound: ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}benzoate

G404-0825 Screening compound: ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}benzoate
G404-0825 Screening compound: ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G404-0825
ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}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

G404-0825

Molecular Formula

C19H24N4O5S (C19 H24 N4 O5 S)

Compound Name

ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}benzoate

IUPAC name

ethyl 3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine-3-amido}benzoate

SMILES

CCOC(c1cccc(NC(C(CCC2)CN2S(c2cn(C)cn2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C19H24N4O5S/c1-3-28-19(25)14-6-4-8-16(10-14)21-18(24)15-7-5-9-23(11-15)29(26,27)17-12-22(2)13-20-17/h4,6,8,10,12-13,15H,3,5,7,9,11H2,1-2H3,(H,21,24)/t15-/m0/s1

InChI Key

MHXRKTVWDQVTMI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27138759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.47

Polar Surface Area

88.139

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

G404-0825 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with G404-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G404-0825?
Check Price and Availability of G404-0825, 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 G404-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G404-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G404-0825
  • 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 G404-0825 available by request