P124-0595 Screening compound: N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-5-yl}acetamide

P124-0595 Screening compound: N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-5-yl}acetamide
P124-0595 Screening compound: N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P124-0595
N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-5-yl}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

P124-0595

Molecular Formula

C17H17ClN4O2S (C17 H17 ClN4 O2 S)

Compound Name

N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-5-yl}acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-{2-ethyl-7-methyl-4-oxo-4H5H-[13]thiazolo[45-d]pyridazin-5-yl}acetamide

SMILES

CCc1nc(C(N(CC(NCc2cccc(Cl)c2)=O)N=C2C)=O)c2s1

InChI

InChI=1S/C17H17ClN4O2S/c1-3-14-20-15-16(25-14)10(2)21-22(17(15)24)9-13(23)19-8-11-5-4-6-12(18)7-11/h4-7H,3,8-9H2,1-2H3,(H,19,23)

InChI Key

MKQYJIBLCBXDAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.50

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P124-0595 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 P124-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P124-0595?
Check Price and Availability of P124-0595, 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 P124-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P124-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P124-0595
  • 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 P124-0595 available by request