E136-0489 Screening compound: N-benzyl-2-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

E136-0489 Screening compound: N-benzyl-2-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
E136-0489 Screening compound: N-benzyl-2-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0489
N-benzyl-2-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-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

E136-0489

Molecular Formula

C21H19ClN2O2 (C21 H19 ClN2 O2)

Compound Name

N-benzyl-2-[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

IUPAC name

N-benzyl-2-[1-(3-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

SMILES

Cc1cc(C(C(NCc2ccccc2)=O)=O)c(C)n1-c1cccc(Cl)c1

InChI

InChI=1S/C21H19ClN2O2/c1-14-11-19(15(2)24(14)18-10-6-9-17(22)12-18)20(25)21(26)23-13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,23,26)

InChI Key

FCDKSFQMKXMFLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.36

Polar Surface Area

41.055

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E136-0489 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 E136-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0489?
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What is the minimum amount of E136-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0489
  • 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 E136-0489 available by request