G070-0339 Screening compound: ethyl 2,5-dimethyl-4-({3-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate

G070-0339 Screening compound: ethyl 2,5-dimethyl-4-({3-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate
G070-0339 Screening compound: ethyl 2,5-dimethyl-4-({3-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0339
ethyl 2,5-dimethyl-4-({3-[(4-methylcyclohexyl)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

G070-0339

Molecular Formula

C22H35N3O5S (C22 H35 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CCC1)CC1C(NC1CCC(C)CC1)=O)(=O)=O)=O

InChI

InChI=1S/C22H35N3O5S/c1-5-30-22(27)19-15(3)23-16(4)20(19)31(28,29)25-12-6-7-17(13-25)21(26)24-18-10-8-14(2)9-11-18/h14,17-18,23H,5-13H2,1-4H3,(H,24,26)/t14?,17-,18?/m0/s1

InChI Key

HABRCRQIRCKYJP-GMXGEUMGSA-N

MDL Number (MFCD)

MFCD14978597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.36

Polar Surface Area

87.563

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

G070-0339 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G070-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0339?
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What is the minimum amount of G070-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0339
  • 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 G070-0339 available by request