E882-1315 Screening compound: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

E882-1315 Screening compound: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide
E882-1315 Screening compound: 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1315
1-[2-(4-cyclohexylpiperazin-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

E882-1315

Molecular Formula

C18H31N5O5S2 (C18 H31 N5 O5 S2)

Compound Name

1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

IUPAC name

1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N3N4-dimethyl-1H-pyrrole-34-disulfonamide

SMILES

CNS(c1cn(CC(N(CC2)CCN2C2CCCCC2)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C18H31N5O5S2/c1-19-29(25,26)16-12-21(13-17(16)30(27,28)20-2)14-18(24)23-10-8-22(9-11-23)15-6-4-3-5-7-15/h12-13,15,19-20H,3-11,14H2,1-2H3

InChI Key

KJRBDIHJUVTITF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.191

Distribution Coefficient, logD

-0.353

Water Solubility, LogSw

-1.85

Polar Surface Area

105.621

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

E882-1315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E882-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1315?
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What is the minimum amount of E882-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1315
  • 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 E882-1315 available by request