D206-0081 Screening compound: 2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

D206-0081 Screening compound: 2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole
D206-0081 Screening compound: 2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D206-0081
2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

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

D206-0081

Molecular Formula

C19H17ClN2O4S3 (C19 H17 ClN2 O4 S3)

Compound Name

2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-1,3-thiazole

IUPAC name

2-(benzenesulfonyl)-4-(4-chlorobenzenesulfonyl)-5-(pyrrolidin-1-yl)-13-thiazole

SMILES

O=S(c1c(N2CCCC2)sc(S(c2ccccc2)(=O)=O)n1)(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H17ClN2O4S3/c20-14-8-10-16(11-9-14)28(23,24)17-18(22-12-4-5-13-22)27-19(21-17)29(25,26)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2

InChI Key

VYVAKTJWICXONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.06

Polar Surface Area

73.435

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-9.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D206-0081 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D206-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D206-0081?
Check Price and Availability of D206-0081, 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 D206-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D206-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D206-0081
  • 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 D206-0081 available by request