E137-0227 Screening compound: ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

E137-0227 Screening compound: ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
E137-0227 Screening compound: ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E137-0227
ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-3,5-dimethyl-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

E137-0227

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({3-[benzyl(methyl)amino]propyl}carbamoyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(NCCCN(C)Cc2ccccc2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H29N3O3/c1-5-27-21(26)19-15(2)18(16(3)23-19)20(25)22-12-9-13-24(4)14-17-10-7-6-8-11-17/h6-8,10-11,23H,5,9,12-14H2,1-4H3,(H,22,25)

InChI Key

CPAKJZZNLNZAQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-2.68

Polar Surface Area

60.323

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E137-0227 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E137-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E137-0227?
Check Price and Availability of E137-0227, 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 E137-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E137-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E137-0227
  • 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 E137-0227 available by request