L968-0544 Screening compound: 2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}phenyl)acetic acid

L968-0544 Screening compound: 2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}phenyl)acetic acid
L968-0544 Screening compound: 2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}phenyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound L968-0544
2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}phenyl)acetic 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

L968-0544

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino}phenyl)acetic acid

IUPAC name

2-(4-{[7-methyl-3-(thiomorpholine-4-carbonyl)-18-naphthyridin-4-yl]amino}phenyl)acetic acid

SMILES

Cc1ccc(c(Nc2ccc(CC(O)=O)cc2)c(cn2)C(N3CCSCC3)=O)c2n1

InChI

InChI=1S/C22H22N4O3S/c1-14-2-7-17-20(25-16-5-3-15(4-6-16)12-19(27)28)18(13-23-21(17)24-14)22(29)26-8-10-30-11-9-26/h2-7,13H,8-12H2,1H3,(H,27,28)(H,23,24,25)

InChI Key

WBHOXUJLWXHTSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490570

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

-0.698

Water Solubility, LogSw

-2.89

Polar Surface Area

71.388

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L968-0544 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L968-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L968-0544?
Check Price and Availability of L968-0544, 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 L968-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L968-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L968-0544
  • 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 L968-0544 available by request