L802-0478 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazine

L802-0478 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazine
L802-0478 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L802-0478
1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazine

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

L802-0478

Molecular Formula

C20H20ClN3OS2 (C20 H20 ClN3 OS2)

Compound Name

1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[2-(5-methylthiophen-2-yl)-13-thiazole-4-carbonyl]piperazine

SMILES

Cc1ccc(-c2nc(C(N(CC3)CCN3c3c(C)ccc(Cl)c3)=O)cs2)s1

InChI

InChI=1S/C20H20ClN3OS2/c1-13-3-5-15(21)11-17(13)23-7-9-24(10-8-23)20(25)16-12-26-19(22-16)18-6-4-14(2)27-18/h3-6,11-12H,7-10H2,1-2H3

InChI Key

NPFGZFSYCXPRFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.939

Distribution Coefficient, logD

5.939

Water Solubility, LogSw

-6.09

Polar Surface Area

30.598

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L802-0478 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 L802-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L802-0478?
Check Price and Availability of L802-0478, 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 L802-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L802-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L802-0478
  • 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 L802-0478 available by request