C480-0130 Screening compound: ethyl 5-(3-chloropropanamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

C480-0130 Screening compound: ethyl 5-(3-chloropropanamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
C480-0130 Screening compound: ethyl 5-(3-chloropropanamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C480-0130
ethyl 5-(3-chloropropanamido)-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

C480-0130

Molecular Formula

C19H18ClN3O4S (C19 H18 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-3-27-19(26)16-13-10-28-17(21-14(24)8-9-20)15(13)18(25)23(22-16)12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,21,24)

InChI Key

YFVBSCHGYMSKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04467424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

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

3.203

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.53

Polar Surface Area

69.745

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C480-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C480-0130?
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What is the minimum amount of C480-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C480-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C480-0130
  • 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 C480-0130 available by request