C201-0349 Screening compound: 5-(HYDROXYMETHYL)-8-METHYL-2-OXO-2H-PYRANO[2,3-C]PYRIDINE-3-CARBOTHIOAMIDE

C201-0349 Screening compound: 5-(HYDROXYMETHYL)-8-METHYL-2-OXO-2H-PYRANO[2,3-C]PYRIDINE-3-CARBOTHIOAMIDE
C201-0349 Screening compound: 5-(HYDROXYMETHYL)-8-METHYL-2-OXO-2H-PYRANO[2,3-C]PYRIDINE-3-CARBOTHIOAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0349
5-(HYDROXYMETHYL)-8-METHYL-2-OXO-2H-PYRANO[2,3-C]PYRIDINE-3-CARBOTHIOAMIDE

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

C201-0349

Molecular Formula

C11H10N2O3S (C11 H10 N2 O3 S)

Compound Name

5-(HYDROXYMETHYL)-8-METHYL-2-OXO-2H-PYRANO[2,3-C]PYRIDINE-3-CARBOTHIOAMIDE

IUPAC name

n/a

SMILES

Cc1ncc(CO)c(C=C2C(N)=S)c1OC2=O

InChI

InChI=1S/C11H10N2O3S/c1-5-9-7(6(4-14)3-13-5)2-8(10(12)17)11(15)16-9/h2-3,14H,4H2,1H3,(H2,12,17)

InChI Key

CFYSHVMHTJYSDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.136

Distribution Coefficient, logD

0.136

Water Solubility, LogSw

-1.33

Polar Surface Area

67.127

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C201-0349 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0349?
Check Price and Availability of C201-0349, 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 C201-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0349
  • 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 C201-0349 available by request