C202-0908 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-0908 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-0908 Screening compound: 2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-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 C202-0908
2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-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

C202-0908

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

2-{[(2-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

Cc1c(CSc2nn(C(c(cc3)ccc3[N+]([O-])=O)C(C(CCC3)=O)=C3N3)c3n2)cccc1

InChI

InChI=1S/C23H21N5O3S/c1-14-5-2-3-6-16(14)13-32-23-25-22-24-18-7-4-8-19(29)20(18)21(27(22)26-23)15-9-11-17(12-10-15)28(30)31/h2-3,5-6,9-12,21H,4,7-8,13H2,1H3,(H,24,25,26)/t21-/m0/s1

InChI Key

IVOZHNPMSJUISW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14730211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.24

Polar Surface Area

82.448

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C202-0908 in Drug Discovery

Included in Screening Libraries

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 C202-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C202-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0908
  • 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 C202-0908 available by request