E137-0062 Screening compound: ethyl 4-[(2-ethylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

E137-0062 Screening compound: ethyl 4-[(2-ethylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
E137-0062 Screening compound: ethyl 4-[(2-ethylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E137-0062
ethyl 4-[(2-ethylphenyl)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

E137-0062

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

ethyl 4-[(2-ethylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(2-ethylphenyl)carbamoyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCc(cccc1)c1NC(c1c(C)[nH]c(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H22N2O3/c1-5-13-9-7-8-10-14(13)20-17(21)15-11(3)16(19-12(15)4)18(22)23-6-2/h7-10,19H,5-6H2,1-4H3,(H,20,21)

InChI Key

MTFVAAGCTGADBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07718142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.19

Polar Surface Area

54.367

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E137-0062 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E137-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E137-0062?
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What is the minimum amount of E137-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E137-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E137-0062
  • 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 E137-0062 available by request