L968-1175 Screening compound: butyl 4-{[3-(diethylcarbamoyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate

L968-1175 Screening compound: butyl 4-{[3-(diethylcarbamoyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate
L968-1175 Screening compound: butyl 4-{[3-(diethylcarbamoyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-1175
butyl 4-{[3-(diethylcarbamoyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate

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

L968-1175

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

butyl 4-{[3-(diethylcarbamoyl)-7-methyl-1,8-naphthyridin-4-yl]amino}benzoate

IUPAC name

butyl 4-{[3-(diethylcarbamoyl)-7-methyl-18-naphthyridin-4-yl]amino}benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc(c1ccc(C)nc1nc1)c1C(N(CC)CC)=O)=O

InChI

InChI=1S/C25H30N4O3/c1-5-8-15-32-25(31)18-10-12-19(13-11-18)28-22-20-14-9-17(4)27-23(20)26-16-21(22)24(30)29(6-2)7-3/h9-14,16H,5-8,15H2,1-4H3,(H,26,27,28)

InChI Key

ROSXHRRJUKXPAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591466

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.75

Polar Surface Area

63.336

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L968-1175 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L968-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-1175?
Check Price and Availability of L968-1175, 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 L968-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-1175
  • 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 L968-1175 available by request