C202-2948 Screening compound: 3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-2948 Screening compound: 3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-2948 Screening compound: 3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2948
3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-7-phenyl-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

C202-2948

Molecular Formula

C26H22N2O2S (C26 H22 N2 O2 S)

Compound Name

3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[5-methyl-4-(4-methylphenyl)-13-thiazol-2-yl]-7-phenyl-125678-hexahydroquinoline-25-dione

SMILES

Cc1c(-c2ccc(C)cc2)nc(C2=CC(C(CC(C3)c4ccccc4)=O)=C3NC2=O)s1

InChI

InChI=1S/C26H22N2O2S/c1-15-8-10-18(11-9-15)24-16(2)31-26(28-24)21-14-20-22(27-25(21)30)12-19(13-23(20)29)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3,(H,27,30)/t19-/m0/s1

InChI Key

BVLNVUBQVHSJGJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14731385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.772

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.59

Polar Surface Area

48.296

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C202-2948 in Drug Discovery

Included in Screening Libraries

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 C202-2948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2948?
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What is the minimum amount of C202-2948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2948
  • 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 C202-2948 available by request