L438-0039 Screening compound: 1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea

L438-0039 Screening compound: 1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
L438-0039 Screening compound: 1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L438-0039
1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea

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

L438-0039

Molecular Formula

C21H18F4N4O (C21 H18 F4 N4 O)

Compound Name

1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea

IUPAC name

1-[8-fluoro-2-(pyrrolidin-1-yl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1cc2ccc(N3CCCC3)nc2c(F)c1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C21H18F4N4O/c22-16-12-14(11-13-7-8-18(28-19(13)16)29-9-3-4-10-29)26-20(30)27-17-6-2-1-5-15(17)21(23,24)25/h1-2,5-8,11-12H,3-4,9-10H2,(H2,26,27,30)

InChI Key

ICTCEMBWMUJGFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27252650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-6.10

Polar Surface Area

44.227

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L438-0039 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L438-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L438-0039?
Check Price and Availability of L438-0039, 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 L438-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L438-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L438-0039
  • 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 L438-0039 available by request