E199-0306 Screening compound: 5-acetyl-N-(2-bromo-4-methylphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

E199-0306 Screening compound: 5-acetyl-N-(2-bromo-4-methylphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
E199-0306 Screening compound: 5-acetyl-N-(2-bromo-4-methylphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E199-0306
5-acetyl-N-(2-bromo-4-methylphenyl)-2,4-dimethyl-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

E199-0306

Molecular Formula

C16H17BrN2O2 (C16 H17 BrN2 O2)

Compound Name

5-acetyl-N-(2-bromo-4-methylphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

IUPAC name

5-acetyl-N-(2-bromo-4-methylphenyl)-24-dimethyl-1H-pyrrole-3-carboxamide

SMILES

CC(c1c(C)c(C(Nc(ccc(C)c2)c2Br)=O)c(C)[nH]1)=O

InChI

InChI=1S/C16H17BrN2O2/c1-8-5-6-13(12(17)7-8)19-16(21)14-9(2)15(11(4)20)18-10(14)3/h5-7,18H,1-4H3,(H,19,21)

InChI Key

WLXZCQNWMJBQLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.88

Polar Surface Area

47.440

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E199-0306 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E199-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E199-0306?
Check Price and Availability of E199-0306, 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 E199-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E199-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E199-0306
  • 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 E199-0306 available by request