G890-0666 Screening compound: 2-[4-(4-fluorophenyl)piperazino]-5-[(2,2,2-trifluoroacetyl)amino]nicotinic acid

G890-0666 Screening compound: 2-[4-(4-fluorophenyl)piperazino]-5-[(2,2,2-trifluoroacetyl)amino]nicotinic acid
G890-0666 Screening compound: 2-[4-(4-fluorophenyl)piperazino]-5-[(2,2,2-trifluoroacetyl)amino]nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G890-0666
2-[4-(4-fluorophenyl)piperazino]-5-[(2,2,2-trifluoroacetyl)amino]nicotinic acid

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

G890-0666

Molecular Formula

C18H16F4N4O3 (C18 H16 F4 N4 O3)

Compound Name

2-[4-(4-fluorophenyl)piperazino]-5-[(2,2,2-trifluoroacetyl)amino]nicotinic acid

IUPAC name

2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(222-trifluoroacetamido)pyridine-3-carboxylic acid

SMILES

OC(c1cc(NC(C(F)(F)F)=O)cnc1N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C18H16F4N4O3/c19-11-1-3-13(4-2-11)25-5-7-26(8-6-25)15-14(16(27)28)9-12(10-23-15)24-17(29)18(20,21)22/h1-4,9-10H,5-8H2,(H,24,29)(H,27,28)

InChI Key

WCZDPSHMTJIDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27166810

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

412.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-3.81

Polar Surface Area

67.793

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

G890-0666 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G890-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G890-0666?
Check Price and Availability of G890-0666, 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 G890-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G890-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G890-0666
  • 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 G890-0666 available by request