4676-0660 Screening compound: 2-({1-[4-(morpholin-4-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid

4676-0660 Screening compound: 2-({1-[4-(morpholin-4-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
4676-0660 Screening compound: 2-({1-[4-(morpholin-4-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0660
2-({1-[4-(morpholin-4-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic 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

4676-0660

Molecular Formula

C20H19N3O5S (C20 H19 N3 O5 S)

Compound Name

2-({1-[4-(morpholin-4-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid

IUPAC name

2-({1-[4-(morpholin-4-yl)phenyl]-25-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid

SMILES

OC(c1cccnc1SC(CC(N1c(cc2)ccc2N2CCOCC2)=O)C1=O)=O

InChI

InChI=1S/C20H19N3O5S/c24-17-12-16(29-18-15(20(26)27)2-1-7-21-18)19(25)23(17)14-5-3-13(4-6-14)22-8-10-28-11-9-22/h1-7,16H,8-12H2,(H,26,27)/t16-/m0/s1

InChI Key

INMMAGGRCJKHTO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01829031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.211

Distribution Coefficient, logD

-0.887

Water Solubility, LogSw

-2.30

Polar Surface Area

78.106

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4676-0660 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4676-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0660?
Check Price and Availability of 4676-0660, 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 4676-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0660
  • 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 4676-0660 available by request