C202-2751 Screening compound: 9-(2,3-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2751 Screening compound: 9-(2,3-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2751 Screening compound: 9-(2,3-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-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 C202-2751
9-(2,3-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-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

C202-2751

Molecular Formula

C28H30N4O5S (C28 H30 N4 O5 S)

Compound Name

9-(2,3-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(23-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-66-dimethyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCC(c(cc3)ccc3OC)=O)nn2C2c(cccc3OC)c3OC)=C2C1=O

InChI

InChI=1S/C28H30N4O5S/c1-28(2)13-19-23(20(33)14-28)24(18-7-6-8-22(36-4)25(18)37-5)32-26(29-19)30-27(31-32)38-15-21(34)16-9-11-17(35-3)12-10-16/h6-12,24H,13-15H2,1-5H3,(H,29,30,31)/t24-/m0/s1

InChI Key

LFDUIJZNSPQHHC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14731230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.51

Polar Surface Area

85.205

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C202-2751 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Aurora A-B Kinases Targeted Library (9426 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
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2751?
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What is the minimum amount of C202-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2751
  • 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 C202-2751 available by request