E882-1410 Screening compound: N3,N4-dimethyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide

E882-1410 Screening compound: N3,N4-dimethyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide
E882-1410 Screening compound: N3,N4-dimethyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1410
N3,N4-dimethyl-1-[2-(morpholin-4-yl)-2-oxoethyl]-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

E882-1410

Molecular Formula

C12H20N4O6S2 (C12 H20 N4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CNS(c1cn(CC(N2CCOCC2)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C12H20N4O6S2/c1-13-23(18,19)10-7-15(8-11(10)24(20,21)14-2)9-12(17)16-3-5-22-6-4-16/h7-8,13-14H,3-6,9H2,1-2H3

InChI Key

XAVNEVFQMBMILE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-2.007

Distribution Coefficient, logD

-2.007

Water Solubility, LogSw

-1.70

Polar Surface Area

110.436

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

E882-1410 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 E882-1410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1410?
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What is the minimum amount of E882-1410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1410
  • 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 E882-1410 available by request