G070-0105 Screening compound: ethyl 2,5-dimethyl-4-[(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}piperidino)sulfonyl]-1H-pyrrole-3-carboxylate

G070-0105 Screening compound: ethyl 2,5-dimethyl-4-[(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}piperidino)sulfonyl]-1H-pyrrole-3-carboxylate
G070-0105 Screening compound: ethyl 2,5-dimethyl-4-[(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}piperidino)sulfonyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0105
ethyl 2,5-dimethyl-4-[(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}piperidino)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

G070-0105

Molecular Formula

C20H31N3O6S (C20 H31 N3 O6 S)

Compound Name

ethyl 2,5-dimethyl-4-[(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}piperidino)sulfonyl]-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CC1)CCC1C(NCC1OCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C20H31N3O6S/c1-4-28-20(25)17-13(2)22-14(3)18(17)30(26,27)23-9-7-15(8-10-23)19(24)21-12-16-6-5-11-29-16/h15-16,22H,4-12H2,1-3H3,(H,21,24)/t16-/m1/s1

InChI Key

AMJIPBPGGXSAHR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14978511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.846

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-1.84

Polar Surface Area

96.559

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

G070-0105 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)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G070-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0105?
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What is the minimum amount of G070-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0105
  • 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 G070-0105 available by request