E975-0339 Screening compound: 2-{3,4-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide

E975-0339 Screening compound: 2-{3,4-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide
E975-0339 Screening compound: 2-{3,4-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-0339
2-{3,4-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide

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

E975-0339

Molecular Formula

C19H34N4O5S2 (C19 H34 N4 O5 S2)

Compound Name

2-{3,4-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide

IUPAC name

2-{34-bis[(propan-2-yl)sulfamoyl]-1H-pyrrol-1-yl}-N-(4-methylcyclohexyl)acetamide

SMILES

CC(C)NS(c1cn(CC(NC2CCC(C)CC2)=O)cc1S(NC(C)C)(=O)=O)(=O)=O

InChI

InChI=1S/C19H34N4O5S2/c1-13(2)21-29(25,26)17-10-23(11-18(17)30(27,28)22-14(3)4)12-19(24)20-16-8-6-15(5)7-9-16/h10-11,13-16,21-22H,6-9,12H2,1-5H3,(H,20,24)

InChI Key

PPMGLHZGJORHDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.41

Polar Surface Area

110.467

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

E975-0339 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 E975-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-0339?
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What is the minimum amount of E975-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-0339
  • 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 E975-0339 available by request