G070-0130 Screening compound: ethyl 2,5-dimethyl-4-({4-[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate

G070-0130 Screening compound: ethyl 2,5-dimethyl-4-({4-[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate
G070-0130 Screening compound: ethyl 2,5-dimethyl-4-({4-[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]piperidin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0130
ethyl 2,5-dimethyl-4-({4-[(1,2,3,4-tetrahydronaphthalen-1-yl)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

G070-0130

Molecular Formula

C25H33N3O5S (C25 H33 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CC1)CCC1C(NC(CCC1)c2c1cccc2)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O5S/c1-4-33-25(30)22-16(2)26-17(3)23(22)34(31,32)28-14-12-19(13-15-28)24(29)27-21-11-7-9-18-8-5-6-10-20(18)21/h5-6,8,10,19,21,26H,4,7,9,11-15H2,1-3H3,(H,27,29)/t21-/m0/s1

InChI Key

WPYJRDJOHSVXOT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14978522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

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

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.36

Polar Surface Area

87.748

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

G070-0130 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G070-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0130?
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What is the minimum amount of G070-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0130
  • 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 G070-0130 available by request