C202-2956 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole

C202-2956 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
C202-2956 Screening compound: 2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2956
2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-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

C202-2956

Molecular Formula

C20H13FN2O3S2 (C20 H13 FN2 O3 S2)

Compound Name

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

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-13-thiazole

SMILES

COc(ccc(-c1csc(-c2nc(-c(cc3)cc4c3OCO4)cs2)n1)c1)c1F

InChI

InChI=1S/C20H13FN2O3S2/c1-24-16-4-2-11(6-13(16)21)14-8-27-19(22-14)20-23-15(9-28-20)12-3-5-17-18(7-12)26-10-25-17/h2-9H,10H2,1H3

InChI Key

IOGRMPFAOQDVRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-5.72

Polar Surface Area

44.181

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C202-2956 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2956?
Check Price and Availability of C202-2956, 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 C202-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2956
  • 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 C202-2956 available by request