L968-0696 Screening compound: 5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}-2-fluorobenzonitrile

L968-0696 Screening compound: 5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}-2-fluorobenzonitrile
L968-0696 Screening compound: 5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}-2-fluorobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-0696
5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}-2-fluorobenzonitrile

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

L968-0696

Molecular Formula

C24H24FN5O (C24 H24 FN5 O)

Compound Name

5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino}-2-fluorobenzonitrile

IUPAC name

5-{[3-(2-ethylpiperidine-1-carbonyl)-7-methyl-18-naphthyridin-4-yl]amino}-2-fluorobenzonitrile

SMILES

CCC(CCCC1)N1C(c(cnc1nc(C)ccc11)c1Nc(cc1)cc(C#N)c1F)=O

InChI

InChI=1S/C24H24FN5O/c1-3-18-6-4-5-11-30(18)24(31)20-14-27-23-19(9-7-15(2)28-23)22(20)29-17-8-10-21(25)16(12-17)13-26/h7-10,12,14,18H,3-6,11H2,1-2H3,(H,27,28,29)/t18-/m0/s1

InChI Key

VWYDDXGDNTVBKN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD22591309

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.19

Polar Surface Area

59.707

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L968-0696 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L968-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-0696?
Check Price and Availability of L968-0696, 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 L968-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-0696
  • 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 L968-0696 available by request