G227-0502 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole

G227-0502 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
G227-0502 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G227-0502
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-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

G227-0502

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

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

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-4-(34-dimethylphenyl)-5-methyl-13-thiazole

SMILES

Cc1c(-c2cc(C)c(C)cc2)nc(-c2nc(-c(cc3)cc4c3OCO4)cs2)s1

InChI

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

InChI Key

FFRJCHKLDTYADX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14988882

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

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.361

Distribution Coefficient, logD

7.361

Water Solubility, LogSw

-5.80

Polar Surface Area

37.321

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G227-0502 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G227-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G227-0502?
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What is the minimum amount of G227-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G227-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G227-0502
  • 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 G227-0502 available by request