L381-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L381-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L381-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0099
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-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

L381-0099

Molecular Formula

C25H37N5O2S (C25 H37 N5 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(N1CCCCC1)=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H37N5O2S/c31-23(26-14-11-20-7-3-1-4-8-20)19-33-24-10-9-22(27-28-24)29-17-12-21(13-18-29)25(32)30-15-5-2-6-16-30/h7,9-10,21H,1-6,8,11-19H2,(H,26,31)

InChI Key

HVFHSHYQBZVKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.17

Polar Surface Area

65.140

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

L381-0099 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L381-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0099?
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What is the minimum amount of L381-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0099
  • 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 L381-0099 available by request