C514-1598 Screening compound: 4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide

C514-1598 Screening compound: 4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide
C514-1598 Screening compound: 4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C514-1598
4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-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

C514-1598

Molecular Formula

C17H19FN2O2 (C17 H19 FN2 O2)

Compound Name

4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide

IUPAC name

4-acetyl-3-ethyl-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrrole-2-carboxamide

SMILES

CCc1c(C(NCc(cc2)ccc2F)=O)[nH]c(C)c1C(C)=O

InChI

InChI=1S/C17H19FN2O2/c1-4-14-15(11(3)21)10(2)20-16(14)17(22)19-9-12-5-7-13(18)8-6-12/h5-8,20H,4,9H2,1-3H3,(H,19,22)

InChI Key

PZZSNDGQELRZME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.13

Polar Surface Area

49.460

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C514-1598 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C514-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C514-1598?
Check Price and Availability of C514-1598, 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 C514-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C514-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C514-1598
  • 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 C514-1598 available by request