L414-1386 Screening compound: ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate

L414-1386 Screening compound: ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate
L414-1386 Screening compound: ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1386
ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate

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

L414-1386

Molecular Formula

C23H22ClN3O4S (C23 H22 ClN3 O4 S)

Compound Name

ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate

IUPAC name

ethyl 4-(2-{[1-(3-chloro-4-methylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O)=O)=O

InChI

InChI=1S/C23H22ClN3O4S/c1-4-31-23(30)16-6-8-17(9-7-16)25-22(29)15(3)32-20-11-12-21(28)27(26-20)18-10-5-14(2)19(24)13-18/h5-13,15H,4H2,1-3H3,(H,25,29)/t15-/m0/s1

InChI Key

UPEIYYWOSIOADF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15126598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-6.03

Polar Surface Area

71.664

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with L414-1386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1386?
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What is the minimum amount of L414-1386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1386
  • 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 L414-1386 available by request