L958-0730 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one

L958-0730 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one
L958-0730 Screening compound: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L958-0730
1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one

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

L958-0730

Molecular Formula

C28H30N4OS (C28 H30 N4 OS)

Compound Name

1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one

IUPAC name

1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-{2-[4-(4-methylphenyl)-13-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one

SMILES

CC(CN(CC1)C(Cn2c(-c3nc(-c4ccc(C)cc4)cs3)ccc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C28H30N4OS/c1-20-9-11-23(12-10-20)25-19-34-28(29-25)26-8-5-13-30(26)18-27(33)31-14-15-32(22(3)17-31)24-7-4-6-21(2)16-24/h4-13,16,19,22H,14-15,17-18H2,1-3H3/t22-/m0/s1

InChI Key

CPXJLQDJAFCGCQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27489970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.558

Distribution Coefficient, logD

6.558

Water Solubility, LogSw

-5.55

Polar Surface Area

30.161

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

L958-0730 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L958-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L958-0730?
Check Price and Availability of L958-0730, 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 L958-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L958-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L958-0730
  • 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 L958-0730 available by request