D206-0047 Screening compound: 2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine

D206-0047 Screening compound: 2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine
D206-0047 Screening compound: 2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D206-0047
2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine

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

D206-0047

Molecular Formula

C24H26N2O4S3 (C24 H26 N2 O4 S3)

Compound Name

2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-amine

IUPAC name

2-(benzenesulfonyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylbenzenesulfonyl)-13-thiazol-5-amine

SMILES

Cc(cc1)ccc1S(c1c(NCCC2=CCCCC2)sc(S(c2ccccc2)(=O)=O)n1)(=O)=O

InChI

InChI=1S/C24H26N2O4S3/c1-18-12-14-21(15-13-18)32(27,28)23-22(25-17-16-19-8-4-2-5-9-19)31-24(26-23)33(29,30)20-10-6-3-7-11-20/h3,6-8,10-15,25H,2,4-5,9,16-17H2,1H3

InChI Key

YSQKALAXULFUPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12966589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.45

Polar Surface Area

78.610

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D206-0047 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D206-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D206-0047?
Check Price and Availability of D206-0047, 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 D206-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D206-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D206-0047
  • 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 D206-0047 available by request