E882-1314 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

E882-1314 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide
E882-1314 Screening compound: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1314
1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

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

E882-1314

Molecular Formula

C18H24ClN5O5S2 (C18 H24 ClN5 O5 S2)

Compound Name

1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

IUPAC name

1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N3N4-dimethyl-1H-pyrrole-34-disulfonamide

SMILES

CNS(c1cn(CC(N(CC2)CCN2c2cccc(Cl)c2)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C18H24ClN5O5S2/c1-20-30(26,27)16-11-22(12-17(16)31(28,29)21-2)13-18(25)24-8-6-23(7-9-24)15-5-3-4-14(19)10-15/h3-5,10-12,20-21H,6-9,13H2,1-2H3

InChI Key

YUAIFFBLKFKUAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.371

Distribution Coefficient, logD

0.371

Water Solubility, LogSw

-2.72

Polar Surface Area

105.788

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E882-1314 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E882-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1314?
Check Price and Availability of E882-1314, 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 E882-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1314
  • 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 E882-1314 available by request