L381-0590 Screening compound: methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

L381-0590 Screening compound: methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
L381-0590 Screening compound: methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0590
methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]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

L381-0590

Molecular Formula

C23H27N5O4S (C23 H27 N5 O4 S)

Compound Name

methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)=O)=O

InChI

InChI=1S/C23H27N5O4S/c1-32-23(31)16-2-4-17(5-3-16)24-20(29)14-33-21-9-8-19(26-27-21)28-12-10-15(11-13-28)22(30)25-18-6-7-18/h2-5,8-9,15,18H,6-7,10-14H2,1H3,(H,24,29)(H,25,30)

InChI Key

SUZQDYWQRDWAOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.92

Polar Surface Area

92.780

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

L381-0590 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L381-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0590?
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What is the minimum amount of L381-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0590
  • 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 L381-0590 available by request