G070-0326 Screening compound: ethyl 2,5-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

G070-0326 Screening compound: ethyl 2,5-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
G070-0326 Screening compound: ethyl 2,5-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0326
ethyl 2,5-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

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

G070-0326

Molecular Formula

C22H29N3O5S2 (C22 H29 N3 O5 S2)

Compound Name

ethyl 2,5-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-[(3-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CCC1)CC1C(Nc1cc(SC)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C22H29N3O5S2/c1-5-30-22(27)19-14(2)23-15(3)20(19)32(28,29)25-11-7-8-16(13-25)21(26)24-17-9-6-10-18(12-17)31-4/h6,9-10,12,16,23H,5,7-8,11,13H2,1-4H3,(H,24,26)/t16-/m0/s1

InChI Key

GATOSRAEDBQYPE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14978592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.08

Polar Surface Area

86.516

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

G070-0326 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G070-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0326?
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What is the minimum amount of G070-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0326
  • 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 G070-0326 available by request