E136-0416 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide

E136-0416 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide
E136-0416 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0416
2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide

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

E136-0416

Molecular Formula

C22H21FN2O2 (C22 H21 FN2 O2)

Compound Name

2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide

IUPAC name

2-[1-(24-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide

SMILES

Cc1cc(C(C(Nc(cccc2)c2F)=O)=O)c(C)n1-c1c(C)cc(C)cc1

InChI

InChI=1S/C22H21FN2O2/c1-13-9-10-20(14(2)11-13)25-15(3)12-17(16(25)4)21(26)22(27)24-19-8-6-5-7-18(19)23/h5-12H,1-4H3,(H,24,27)

InChI Key

JPEWKOHEPVBSCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-4.55

Polar Surface Area

38.734

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E136-0416 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0416?
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What is the minimum amount of E136-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0416
  • 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 E136-0416 available by request