8019-3999 Screening compound: N-{2-[4,5-dimethoxy-2-({4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide

8019-3999 Screening compound: N-{2-[4,5-dimethoxy-2-({4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide
8019-3999 Screening compound: N-{2-[4,5-dimethoxy-2-({4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3999
N-{2-[4,5-dimethoxy-2-({4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide

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

8019-3999

Molecular Formula

C25H32N4O6S3 (C25 H32 N4 O6 S3)

Compound Name

N-{2-[4,5-dimethoxy-2-({4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide

IUPAC name

N-{2-[45-dimethoxy-2-({4-[4-(4-methylphenyl)-13-thiazol-2-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}methanesulfonamide

SMILES

Cc(cc1)ccc1-c1csc(N(CC2)CCN2S(c(cc2OC)c(CCNS(C)(=O)=O)cc2OC)(=O)=O)n1

InChI

InChI=1S/C25H32N4O6S3/c1-18-5-7-19(8-6-18)21-17-36-25(27-21)28-11-13-29(14-12-28)38(32,33)24-16-23(35-3)22(34-2)15-20(24)9-10-26-37(4,30)31/h5-8,15-17,26H,9-14H2,1-4H3

InChI Key

JPMYKSRRXSHWKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.75

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.08

Polar Surface Area

102.837

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8019-3999 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-3999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3999?
Check Price and Availability of 8019-3999, 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 8019-3999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3999
  • 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 8019-3999 available by request