C202-3382 Screening compound: 3-[1-(2,3-dimethylphenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3382 Screening compound: 3-[1-(2,3-dimethylphenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3382 Screening compound: 3-[1-(2,3-dimethylphenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3382
3-[1-(2,3-dimethylphenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-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

C202-3382

Molecular Formula

C27H26N4O2 (C27 H26 N4 O2)

Compound Name

3-[1-(2,3-dimethylphenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[1-(23-dimethylphenyl)-1H-124-triazol-5-yl]-77-dimethyl-1-phenyl-125678-hexahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(C(c2ncnn2-c2c(C)c(C)ccc2)=C2)=O)=C2C1=O

InChI

InChI=1S/C27H26N4O2/c1-17-9-8-12-22(18(17)2)31-25(28-16-29-31)21-13-20-23(14-27(3,4)15-24(20)32)30(26(21)33)19-10-6-5-7-11-19/h5-13,16H,14-15H2,1-4H3

InChI Key

XBGGEQVTILREJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.50

Polar Surface Area

52.871

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C202-3382 in Drug Discovery

Included in Screening Libraries

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 C202-3382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3382?
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What is the minimum amount of C202-3382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3382
  • 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 C202-3382 available by request