E912-0886 Screening compound: ethyl 1-{[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

E912-0886 Screening compound: ethyl 1-{[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate
E912-0886 Screening compound: ethyl 1-{[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0886
ethyl 1-{[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-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

E912-0886

Molecular Formula

C17H26N2O6S (C17 H26 N2 O6 S)

Compound Name

ethyl 1-{[4-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[4-(ethoxycarbonyl)-25-dimethyl-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1c(C)[nH]c(C)c1C(OCC)=O)(=O)=O)=O

InChI

InChI=1S/C17H26N2O6S/c1-5-24-16(20)13-7-9-19(10-8-13)26(22,23)15-12(4)18-11(3)14(15)17(21)25-6-2/h13,18H,5-10H2,1-4H3

InChI Key

YCWZXEPMCRHBKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.32

Polar Surface Area

84.245

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

E912-0886 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous 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 E912-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0886?
Check Price and Availability of E912-0886, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E912-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0886
  • 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 E912-0886 available by request