E882-1385 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide

E882-1385 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide
E882-1385 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N3,N4-dimethyl-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1385
1-{2-[4-(4-methoxyphenyl)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

E882-1385

Molecular Formula

C19H27N5O6S2 (C19 H27 N5 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CNS(c1cn(CC(N(CC2)CCN2c(cc2)ccc2OC)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C19H27N5O6S2/c1-20-31(26,27)17-12-22(13-18(17)32(28,29)21-2)14-19(25)24-10-8-23(9-11-24)15-4-6-16(30-3)7-5-15/h4-7,12-13,20-21H,8-11,14H2,1-3H3

InChI Key

XPIPUXHJNUDBOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.109

Distribution Coefficient, logD

-0.109

Water Solubility, LogSw

-2.24

Polar Surface Area

113.332

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E882-1385 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E882-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1385?
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What is the minimum amount of E882-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1385
  • 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 E882-1385 available by request