E138-0945 Screening compound: methyl 4-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

E138-0945 Screening compound: methyl 4-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
E138-0945 Screening compound: methyl 4-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-0945
methyl 4-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

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

E138-0945

Molecular Formula

C15H17ClN2O6S (C15 H17 ClN2 O6 S)

Compound Name

methyl 4-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-[(5-chloro-24-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(Nc(c(OC)c2)cc(Cl)c2OC)(=O)=O)c1

InChI

InChI=1S/C15H17ClN2O6S/c1-18-8-9(5-12(18)15(19)24-4)25(20,21)17-11-6-10(16)13(22-2)7-14(11)23-3/h5-8,17H,1-4H3

InChI Key

RSPMRAPWLHLAHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-2.92

Polar Surface Area

78.935

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E138-0945 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E138-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-0945?
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What is the minimum amount of E138-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-0945
  • 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 E138-0945 available by request