L383-0454 Screening compound: N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L383-0454 Screening compound: N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L383-0454 Screening compound: N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L383-0454
N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

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

L383-0454

Molecular Formula

C26H30ClN5OS (C26 H30 ClN5 OS)

Compound Name

N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-butylphenyl)-2-({6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

CCCCc(cc1)ccc1NC(CSc(cc1)nnc1N(CC1)CCN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C26H30ClN5OS/c1-2-3-5-20-8-10-22(11-9-20)28-25(33)19-34-26-13-12-24(29-30-26)32-16-14-31(15-17-32)23-7-4-6-21(27)18-23/h4,6-13,18H,2-3,5,14-17,19H2,1H3,(H,28,33)

InChI Key

NFCMWGLHAFGPFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27249001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.559

Distribution Coefficient, logD

6.559

Water Solubility, LogSw

-6.18

Polar Surface Area

50.396

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L383-0454 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L383-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L383-0454?
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What is the minimum amount of L383-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L383-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L383-0454
  • 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 L383-0454 available by request