C202-2848 Screening compound: 9-(3-chlorophenyl)-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

C202-2848 Screening compound: 9-(3-chlorophenyl)-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
C202-2848 Screening compound: 9-(3-chlorophenyl)-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 C202-2848
9-(3-chlorophenyl)-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

C202-2848

Molecular Formula

C26H25ClN4O3S (C26 H25 ClN4 O3 S)

Compound Name

9-(3-chlorophenyl)-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-(3-chlorophenyl)-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)nn2C2c3cccc(Cl)c3)=C2C1=O

InChI

InChI=1S/C26H25ClN4O3S/c1-26(2)12-19-22(20(32)13-26)23(16-5-4-6-17(27)11-16)31-24(28-19)29-25(30-31)35-14-21(33)15-7-9-18(34-3)10-8-15/h4-11,23H,12-14H2,1-3H3,(H,28,29,30)/t23-/m0/s1

InChI Key

YCCXNMMEMBGICT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-6.03

Polar Surface Area

69.857

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

C202-2848 in Drug Discovery

Included in Screening Libraries

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C202-2848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2848?
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What is the minimum amount of C202-2848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2848
  • 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 C202-2848 available by request