0602-0215 Screening compound: N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide

0602-0215 Screening compound: N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide
0602-0215 Screening compound: N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0602-0215
N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide

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

0602-0215

Molecular Formula

C19H15Cl3N4OS (C19 H15 Cl3 N4 OS)

Compound Name

N-(2,2,2-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide

IUPAC name

N-(222-trichloro-1-{[(pyridin-2-yl)carbamothioyl]amino}ethyl)naphthalene-1-carboxamide

SMILES

O=C(c1cccc2ccccc12)NC(C(Cl)(Cl)Cl)NC(Nc1ncccc1)=S

InChI

InChI=1S/C19H15Cl3N4OS/c20-19(21,22)17(26-18(28)24-15-10-3-4-11-23-15)25-16(27)14-9-5-7-12-6-1-2-8-13(12)14/h1-11,17H,(H,25,27)(H2,23,24,26,28)/t17-/m0/s1

InChI Key

OQYOZNKPRMIPCI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00694122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-5.02

Polar Surface Area

52.703

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

0602-0215 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0602-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0602-0215?
Check Price and Availability of 0602-0215, 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 0602-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0602-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0602-0215
  • 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 0602-0215 available by request