E912-0964 Screening compound: ethyl 2,5-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-1H-pyrrole-3-carboxylate

E912-0964 Screening compound: ethyl 2,5-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-1H-pyrrole-3-carboxylate
E912-0964 Screening compound: ethyl 2,5-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0964
ethyl 2,5-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-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

E912-0964

Molecular Formula

C19H24N2O4S (C19 H24 N2 O4 S)

Compound Name

ethyl 2,5-dimethyl-4-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-[(1234-tetrahydronaphthalen-1-yl)sulfamoyl]-1H-pyrrole-3-carboxylate

SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-4-25-19(22)17-12(2)20-13(3)18(17)26(23,24)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16,20-21H,4,7,9,11H2,1-3H3/t16-/m0/s1

InChI Key

VMPWFUCKESBQAL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14927584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.69

Polar Surface Area

73.596

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

E912-0964 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E912-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0964?
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What is the minimum amount of E912-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0964
  • 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 E912-0964 available by request