E882-1393 Screening compound: N3,N4-dimethyl-1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide

E882-1393 Screening compound: N3,N4-dimethyl-1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide
E882-1393 Screening compound: N3,N4-dimethyl-1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1393
N3,N4-dimethyl-1-[2-(2-methyl-2,3-dihydro-1H-indol-1-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

E882-1393

Molecular Formula

C17H22N4O5S2 (C17 H22 N4 O5 S2)

Compound Name

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

IUPAC name

N3N4-dimethyl-1-[2-(2-methyl-23-dihydro-1H-indol-1-yl)-2-oxoethyl]-1H-pyrrole-34-disulfonamide

SMILES

CC(C1)N(C(Cn(cc2S(NC)(=O)=O)cc2S(NC)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C17H22N4O5S2/c1-12-8-13-6-4-5-7-14(13)21(12)17(22)11-20-9-15(27(23,24)18-2)16(10-20)28(25,26)19-3/h4-7,9-10,12,18-19H,8,11H2,1-3H3/t12-/m0/s1

InChI Key

QEZIKIOHQBQRFM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14925739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.303

Distribution Coefficient, logD

0.303

Water Solubility, LogSw

-2.30

Polar Surface Area

100.497

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

E882-1393 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E882-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1393?
Check Price and Availability of E882-1393, 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 E882-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1393
  • 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 E882-1393 available by request