E138-1002 Screening compound: methyl 1-methyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

E138-1002 Screening compound: methyl 1-methyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
E138-1002 Screening compound: methyl 1-methyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-1002
methyl 1-methyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]-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

E138-1002

Molecular Formula

C16H20N2O7S (C16 H20 N2 O7 S)

Compound Name

methyl 1-methyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-[(345-trimethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(Nc(cc2OC)cc(OC)c2OC)(=O)=O)c1

InChI

InChI=1S/C16H20N2O7S/c1-18-9-11(8-12(18)16(19)25-5)26(20,21)17-10-6-13(22-2)15(24-4)14(7-10)23-3/h6-9,17H,1-5H3

InChI Key

IWLBVUBOYVAHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.824

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-2.29

Polar Surface Area

87.350

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

E138-1002 in Drug Discovery

Included in Screening Libraries

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 E138-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-1002?
Check Price and Availability of E138-1002, 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 E138-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-1002
  • 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 E138-1002 available by request