C202-3020 Screening compound: 3-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3020 Screening compound: 3-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3020 Screening compound: 3-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3020
3-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

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

C202-3020

Molecular Formula

C26H20N2O5S (C26 H20 N2 O5 S)

Compound Name

3-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(4-methoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-7-(4-methoxyphenyl)-125678-hexahydroquinoline-25-dione

SMILES

COc1ccc(C(C2)CC(NC(C(c3nc(-c(cc4)cc5c4OCO5)cs3)=C3)=O)=C3C2=O)cc1

InChI

InChI=1S/C26H20N2O5S/c1-31-17-5-2-14(3-6-17)16-8-20-18(22(29)9-16)11-19(25(30)27-20)26-28-21(12-34-26)15-4-7-23-24(10-15)33-13-32-23/h2-7,10-12,16H,8-9,13H2,1H3,(H,27,30)/t16-/m0/s1

InChI Key

JDMFOLFCFAZUCY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14731439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-5.06

Polar Surface Area

72.185

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C202-3020 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3020?
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What is the minimum amount of C202-3020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3020
  • 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 C202-3020 available by request