C480-0339 Screening compound: ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

C480-0339 Screening compound: ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
C480-0339 Screening compound: ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C480-0339
ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-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

C480-0339

Molecular Formula

C18H15Cl2N3O4S (C18 H15 Cl2 N3 O4 S)

Compound Name

ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

IUPAC name

ethyl 3-(4-chlorophenyl)-5-(3-chloropropanamido)-4-oxo-3H4H-thieno[34-d]pyridazine-1-carboxylate

SMILES

CCOC(C(c1csc(NC(CCCl)=O)c11)=NN(c(cc2)ccc2Cl)C1=O)=O

InChI

InChI=1S/C18H15Cl2N3O4S/c1-2-27-18(26)15-12-9-28-16(21-13(24)7-8-19)14(12)17(25)23(22-15)11-5-3-10(20)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,21,24)

InChI Key

UIANYCDFOQOLCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04467615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-4.11

Polar Surface Area

69.745

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C480-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C480-0339?
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What is the minimum amount of C480-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C480-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C480-0339
  • 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 C480-0339 available by request