E975-0561 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one

E975-0561 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
E975-0561 Screening compound: 2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0561
2-[3,4-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(4-ethylpiperazin-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

E975-0561

Molecular Formula

C20H33N5O5S2 (C20 H33 N5 O5 S2)

Compound Name

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

IUPAC name

2-[34-bis(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one

SMILES

CCN(CC1)CCN1C(Cn(cc1S(N2CCCC2)(=O)=O)cc1S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C20H33N5O5S2/c1-2-21-11-13-23(14-12-21)20(26)17-22-15-18(31(27,28)24-7-3-4-8-24)19(16-22)32(29,30)25-9-5-6-10-25/h15-16H,2-14,17H2,1H3

InChI Key

XQPADHNALGFUNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.197

Distribution Coefficient, logD

-0.373

Water Solubility, LogSw

-1.17

Polar Surface Area

87.919

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

E975-0561 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 E975-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0561?
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What is the minimum amount of E975-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0561
  • 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 E975-0561 available by request