G070-0083 Screening compound: ethyl 2,5-dimethyl-4-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-3-carboxylate

G070-0083 Screening compound: ethyl 2,5-dimethyl-4-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-3-carboxylate
G070-0083 Screening compound: ethyl 2,5-dimethyl-4-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0083
ethyl 2,5-dimethyl-4-{[4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)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

G070-0083

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 25-dimethyl-4-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl}-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CC1)CCC1C(N(CC1)Cc2c1cccc2)=O)(=O)=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-4-32-24(29)21-16(2)25-17(3)22(21)33(30,31)27-13-10-19(11-14-27)23(28)26-12-9-18-7-5-6-8-20(18)15-26/h5-8,19,25H,4,9-15H2,1-3H3

InChI Key

SNBJASMIFXAZDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.08

Polar Surface Area

79.801

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G070-0083 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G070-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0083?
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What is the minimum amount of G070-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0083
  • 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 G070-0083 available by request