E975-0074 Screening compound: N3,N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3,4-disulfonamide

E975-0074 Screening compound: N3,N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3,4-disulfonamide
E975-0074 Screening compound: N3,N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0074
N3,N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

E975-0074

Molecular Formula

C18H32N4O5S2 (C18 H32 N4 O5 S2)

Compound Name

N3,N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3,4-disulfonamide

IUPAC name

N3N4-di-tert-butyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-34-disulfonamide

SMILES

CC(C)(C)NS(c1cn(CC(N2CCCC2)=O)cc1S(NC(C)(C)C)(=O)=O)(=O)=O

InChI

InChI=1S/C18H32N4O5S2/c1-17(2,3)19-28(24,25)14-11-21(13-16(23)22-9-7-8-10-22)12-15(14)29(26,27)20-18(4,5)6/h11-12,19-20H,7-10,13H2,1-6H3

InChI Key

QXEHPINWMNSIDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.877

Distribution Coefficient, logD

0.877

Water Solubility, LogSw

-2.02

Polar Surface Area

102.728

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

E975-0074 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 E975-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0074?
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What is the minimum amount of E975-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0074
  • 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 E975-0074 available by request