C202-2925 Screening compound: 7,7-dimethyl-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-2925 Screening compound: 7,7-dimethyl-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-2925 Screening compound: 7,7-dimethyl-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2925
7,7-dimethyl-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-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

C202-2925

Molecular Formula

C26H22N2O3S (C26 H22 N2 O3 S)

Compound Name

7,7-dimethyl-3-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

77-dimethyl-3-[4-(4-phenoxyphenyl)-13-thiazol-2-yl]-125678-hexahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(NC(C(c2nc(-c(cc3)ccc3Oc3ccccc3)cs2)=C2)=O)=C2C1=O

InChI

InChI=1S/C26H22N2O3S/c1-26(2)13-21-19(23(29)14-26)12-20(24(30)27-21)25-28-22(15-32-25)16-8-10-18(11-9-16)31-17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3,(H,27,30)

InChI Key

PCURTOQPNARCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-5.61

Polar Surface Area

54.545

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C202-2925 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2925?
Check Price and Availability of C202-2925, 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 C202-2925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2925
  • 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 C202-2925 available by request