L414-1544 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{2-[ethyl(3-methylphenyl)amino]ethyl}propanamide

L414-1544 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{2-[ethyl(3-methylphenyl)amino]ethyl}propanamide
L414-1544 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{2-[ethyl(3-methylphenyl)amino]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1544
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{2-[ethyl(3-methylphenyl)amino]ethyl}propanamide

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

L414-1544

Molecular Formula

C25H29ClN4O2S (C25 H29 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCNC(C(C)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C25H29ClN4O2S/c1-5-29(20-8-6-7-17(2)15-20)14-13-27-25(32)19(4)33-23-11-12-24(31)30(28-23)21-10-9-18(3)22(26)16-21/h6-12,15-16,19H,5,13-14H2,1-4H3,(H,27,32)/t19-/m0/s1

InChI Key

UXRLKKAFZIWINR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15126633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.92

Polar Surface Area

55.064

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L414-1544 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L414-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1544?
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What is the minimum amount of L414-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1544
  • 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 L414-1544 available by request