E975-0476 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

E975-0476 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
E975-0476 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0476
2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

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

E975-0476

Molecular Formula

C22H28N4O5S2 (C22 H28 N4 O5 S2)

Compound Name

2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

2-[34-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

O=C(Cn(cc1S(N2CCCC2)(=O)=O)cc1S(N1CCCC1)(=O)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H28N4O5S2/c27-22(26-14-9-18-7-1-2-8-19(18)26)17-23-15-20(32(28,29)24-10-3-4-11-24)21(16-23)33(30,31)25-12-5-6-13-25/h1-2,7-8,15-16H,3-6,9-14,17H2

InChI Key

RZYCKLYNBTZXOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.15

Polar Surface Area

83.412

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E975-0476 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E975-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0476?
Check Price and Availability of E975-0476, 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 E975-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0476
  • 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 E975-0476 available by request