L598-0085 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]piperazine

L598-0085 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]piperazine
L598-0085 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0085
1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]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

L598-0085

Molecular Formula

C22H24ClN3O2S2 (C22 H24 ClN3 O2 S2)

Compound Name

1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[2-methyl-5-(2-methyl-13-thiazol-4-yl)benzenesulfonyl]piperazine

SMILES

Cc1nc(-c2cc(S(N(CC3)CCN3c3c(C)ccc(Cl)c3)(=O)=O)c(C)cc2)cs1

InChI

InChI=1S/C22H24ClN3O2S2/c1-15-5-7-19(23)13-21(15)25-8-10-26(11-9-25)30(27,28)22-12-18(6-4-16(22)2)20-14-29-17(3)24-20/h4-7,12-14H,8-11H2,1-3H3

InChI Key

JTZACCBRUFSJSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.907

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-6.15

Polar Surface Area

44.449

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L598-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L598-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0085?
Check Price and Availability of L598-0085, 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 L598-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0085
  • 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 L598-0085 available by request