C202-3048 Screening compound: 9-(2-ethoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-3048 Screening compound: 9-(2-ethoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-3048 Screening compound: 9-(2-ethoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-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 C202-3048
9-(2-ethoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-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

C202-3048

Molecular Formula

C24H32N4O2S (C24 H32 N4 O2 S)

Compound Name

9-(2-ethoxyphenyl)-6,6-dimethyl-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(2-ethoxyphenyl)-66-dimethyl-2-(pentylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCCCCSc1nn(C(c(cccc2)c2OCC)C(C(CC(C)(C)C2)=O)=C2N2)c2n1

InChI

InChI=1S/C24H32N4O2S/c1-5-7-10-13-31-23-26-22-25-17-14-24(3,4)15-18(29)20(17)21(28(22)27-23)16-11-8-9-12-19(16)30-6-2/h8-9,11-12,21H,5-7,10,13-15H2,1-4H3,(H,25,26,27)/t21-/m0/s1

InChI Key

XJDHSOJMMPNYJU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14731462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-5.36

Polar Surface Area

56.548

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

C202-3048 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C202-3048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3048?
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What is the minimum amount of C202-3048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3048
  • 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 C202-3048 available by request