C201-1003 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide

C201-1003 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide
C201-1003 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1003
5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-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

C201-1003

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide

IUPAC name

5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[23-c]pyridine-3-carbothioamide

SMILES

Cc(cc1)ccc1NC(C1=Cc(c(CO)cnc2C)c2OC1=N)=S

InChI

InChI=1S/C18H17N3O2S/c1-10-3-5-13(6-4-10)21-18(24)15-7-14-12(9-22)8-20-11(2)16(14)23-17(15)19/h3-8,19,22H,9H2,1-2H3,(H,21,24)

InChI Key

BGAPSQHOQYKFKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.70

Polar Surface Area

61.472

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C201-1003 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C201-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1003?
Check Price and Availability of C201-1003, 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 C201-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1003
  • 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 C201-1003 available by request