G227-0672 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-1,3-thiazole

G227-0672 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-1,3-thiazole
G227-0672 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G227-0672
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-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

G227-0672

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-1,3-thiazole

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-4-(4-ethylphenyl)-5-methyl-13-thiazole

SMILES

CCc(cc1)ccc1-c1c(C)sc(-c2nc(-c(cc3)cc4c3OCO4)cs2)n1

InChI

InChI=1S/C22H18N2O2S2/c1-3-14-4-6-15(7-5-14)20-13(2)28-22(24-20)21-23-17(11-27-21)16-8-9-18-19(10-16)26-12-25-18/h4-11H,3,12H2,1-2H3

InChI Key

BYHRHTPZYVBFKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14988914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.219

Distribution Coefficient, logD

7.219

Water Solubility, LogSw

-5.83

Polar Surface Area

37.321

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G227-0672 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G227-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G227-0672?
Check Price and Availability of G227-0672, 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 G227-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G227-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G227-0672
  • 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 G227-0672 available by request