E137-0186 Screening compound: ethyl 4-[(4-fluoro-2-methylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

E137-0186 Screening compound: ethyl 4-[(4-fluoro-2-methylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
E137-0186 Screening compound: ethyl 4-[(4-fluoro-2-methylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E137-0186
ethyl 4-[(4-fluoro-2-methylphenyl)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

E137-0186

Molecular Formula

C17H19FN2O3 (C17 H19 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(Nc(cc2)c(C)cc2F)=O)c(C)[nH]1)=O

InChI

InChI=1S/C17H19FN2O3/c1-5-23-17(22)15-10(3)14(11(4)19-15)16(21)20-13-7-6-12(18)8-9(13)2/h6-8,19H,5H2,1-4H3,(H,20,21)

InChI Key

XYGDRWLZLFIJJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.51

Polar Surface Area

54.367

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E137-0186 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E137-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E137-0186?
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What is the minimum amount of E137-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E137-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E137-0186
  • 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 E137-0186 available by request