L381-0880 Screening compound: ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate

L381-0880 Screening compound: ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
L381-0880 Screening compound: ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0880
ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]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

L381-0880

Molecular Formula

C24H31N5O4S (C24 H31 N5 O4 S)

Compound Name

ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc(cc1)nnc1N(CC1)CCC1C(NC(C)C)=O)=O)=O

InChI

InChI=1S/C24H31N5O4S/c1-4-33-24(32)18-5-7-19(8-6-18)26-21(30)15-34-22-10-9-20(27-28-22)29-13-11-17(12-14-29)23(31)25-16(2)3/h5-10,16-17H,4,11-15H2,1-3H3,(H,25,31)(H,26,30)

InChI Key

JEKKYTHDOKMCHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.40

Polar Surface Area

91.549

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

L381-0880 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 L381-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0880?
Check Price and Availability of L381-0880, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L381-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0880
  • 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 L381-0880 available by request