P168-0542 Screening compound: 1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-0542 Screening compound: 1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-0542 Screening compound: 1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0542
1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-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

P168-0542

Molecular Formula

C17H14F3N3O (C17 H14 F3 N3 O)

Compound Name

1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

1-ethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

CCn1c(nccc2)c2c(C(Nc2ccc(C(F)(F)F)cc2)=O)c1

InChI

InChI=1S/C17H14F3N3O/c1-2-23-10-14(13-4-3-9-21-15(13)23)16(24)22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,2H2,1H3,(H,22,24)

InChI Key

CLTABWNGTRXVDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.45

Polar Surface Area

34.965

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P168-0542 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P168-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0542?
Check Price and Availability of P168-0542, 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 P168-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0542
  • 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 P168-0542 available by request