L996-0402 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-methyl-2-(1-methyl-1H-pyrrol-2-yl)-1,3-thiazole-5-carbonyl]piperazine

L996-0402 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-methyl-2-(1-methyl-1H-pyrrol-2-yl)-1,3-thiazole-5-carbonyl]piperazine
L996-0402 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-methyl-2-(1-methyl-1H-pyrrol-2-yl)-1,3-thiazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L996-0402
1-(5-chloro-2-methylphenyl)-4-[4-methyl-2-(1-methyl-1H-pyrrol-2-yl)-1,3-thiazole-5-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

L996-0402

Molecular Formula

C21H23ClN4OS (C21 H23 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)sc(-c2cccn2C)n1

InChI

InChI=1S/C21H23ClN4OS/c1-14-6-7-16(22)13-18(14)25-9-11-26(12-10-25)21(27)19-15(2)23-20(28-19)17-5-4-8-24(17)3/h4-8,13H,9-12H2,1-3H3

InChI Key

DXRIAIJICMZWJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.87

Polar Surface Area

32.574

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L996-0402 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L996-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L996-0402?
Check Price and Availability of L996-0402, 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 L996-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L996-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L996-0402
  • 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 L996-0402 available by request