C202-2805 Screening compound: 9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2805 Screening compound: 9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2805 Screening compound: 9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2805
9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C202-2805

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(23-dimethoxyphenyl)-66-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCC(c3ccccc3)=O)nn2C2c(cccc3OC)c3OC)=C2C1=O

InChI

InChI=1S/C27H28N4O4S/c1-27(2)13-18-22(19(32)14-27)23(17-11-8-12-21(34-3)24(17)35-4)31-25(28-18)29-26(30-31)36-15-20(33)16-9-6-5-7-10-16/h5-12,23H,13-15H2,1-4H3,(H,28,29,30)/t23-/m0/s1

InChI Key

KDFBDKFMOAAKQS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.46

Polar Surface Area

77.661

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C202-2805 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2805?
Check Price and Availability of C202-2805, 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 C202-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2805
  • 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 C202-2805 available by request