E734-1564 Screening compound: methyl 1-methyl-4-[(2-phenylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylate

E734-1564 Screening compound: methyl 1-methyl-4-[(2-phenylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylate
E734-1564 Screening compound: methyl 1-methyl-4-[(2-phenylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1564
methyl 1-methyl-4-[(2-phenylpropyl)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

E734-1564

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNS(c1cn(C)c(C(OC)=O)c1)(=O)=O)c1ccccc1

InChI

InChI=1S/C16H20N2O4S/c1-12(13-7-5-4-6-8-13)10-17-23(20,21)14-9-15(16(19)22-3)18(2)11-14/h4-9,11-12,17H,10H2,1-3H3/t12-/m0/s1

InChI Key

CCCWQFIMHXOORN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14913586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.02

Polar Surface Area

65.480

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

E734-1564 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E734-1564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1564?
Check Price and Availability of E734-1564, 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 E734-1564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1564
  • 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 E734-1564 available by request