E158-0113 Screening compound: 5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

E158-0113 Screening compound: 5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
E158-0113 Screening compound: 5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0113
5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

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

E158-0113

Molecular Formula

C17H21FN2O (C17 H21 FN2 O)

Compound Name

5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

IUPAC name

5-(4-fluorophenyl)-2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

SMILES

CC(C)CCNC(c1c(C)[nH]c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C17H21FN2O/c1-11(2)8-9-19-17(21)15-10-16(20-12(15)3)13-4-6-14(18)7-5-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,19,21)

InChI Key

XLLJYSSWILRZHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.12

Polar Surface Area

34.704

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E158-0113 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E158-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0113?
Check Price and Availability of E158-0113, 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 E158-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0113
  • 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 E158-0113 available by request