C200-3115 Screening compound: (2Z)-5-(hydroxymethyl)-2-[(4-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide

C200-3115 Screening compound: (2Z)-5-(hydroxymethyl)-2-[(4-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
C200-3115 Screening compound: (2Z)-5-(hydroxymethyl)-2-[(4-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3115
(2Z)-5-(hydroxymethyl)-2-[(4-methoxyphenyl)imino]-8-methyl-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

C200-3115

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ncc(CO)c(C=C2C(N)=S)c1O/C2=N\c(cc1)ccc1OC

InChI

InChI=1S/C18H17N3O3S/c1-10-16-14(11(9-22)8-20-10)7-15(17(19)25)18(24-16)21-12-3-5-13(23-2)6-4-12/h3-8,22H,9H2,1-2H3,(H2,19,25)

InChI Key

QDQQZJDTBCPGOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.612

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-2.01

Polar Surface Area

69.455

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C200-3115 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-3115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3115?
Check Price and Availability of C200-3115, 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 C200-3115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3115
  • 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 C200-3115 available by request