C480-0129 Screening compound: ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

C480-0129 Screening compound: ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
C480-0129 Screening compound: ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C480-0129
ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

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

C480-0129

Molecular Formula

C18H16ClN3O4S (C18 H16 ClN3 O4 S)

Compound Name

ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

IUPAC name

ethyl 5-(2-chloroacetamido)-3-(4-methylphenyl)-4-oxo-3H4H-thieno[34-d]pyridazine-1-carboxylate

SMILES

CCOC(C(c1csc(NC(CCl)=O)c11)=NN(c2ccc(C)cc2)C1=O)=O

InChI

InChI=1S/C18H16ClN3O4S/c1-3-26-18(25)15-12-9-27-16(20-13(23)8-19)14(12)17(24)22(21-15)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,20,23)

InChI Key

JQALWZQLCJPADQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04467423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.46

Polar Surface Area

69.745

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C480-0129 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C480-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C480-0129?
Check Price and Availability of C480-0129, 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 C480-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C480-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C480-0129
  • 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 C480-0129 available by request