L968-0025 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-amine

L968-0025 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-amine
L968-0025 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-0025
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-amine

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

L968-0025

Molecular Formula

C21H18ClF3N4O (C21 H18 ClF3 N4 O)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-amine

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-18-naphthyridin-4-amine

SMILES

Cc1ccc(c(Nc(cc(C(F)(F)F)cc2)c2Cl)c(cn2)C(N3CCCC3)=O)c2n1

InChI

InChI=1S/C21H18ClF3N4O/c1-12-4-6-14-18(28-17-10-13(21(23,24)25)5-7-16(17)22)15(11-26-19(14)27-12)20(30)29-8-2-3-9-29/h4-7,10-11H,2-3,8-9H2,1H3,(H,26,27,28)

InChI Key

YYGCZWUMEHSBNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490495

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

434.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

5.059

Water Solubility, LogSw

-5.16

Polar Surface Area

42.672

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L968-0025 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L968-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-0025?
Check Price and Availability of L968-0025, 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 L968-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-0025
  • 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 L968-0025 available by request