C650-0152 Screening compound: 9-(2-fluorophenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0152 Screening compound: 9-(2-fluorophenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0152 Screening compound: 9-(2-fluorophenyl)-2-{[(3-methylphenyl)methyl]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 C650-0152
9-(2-fluorophenyl)-2-{[(3-methylphenyl)methyl]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

C650-0152

Molecular Formula

C23H21FN4OS (C23 H21 FN4 OS)

Compound Name

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

IUPAC name

9-(2-fluorophenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

Cc1cccc(CSc2nn(C(c(cccc3)c3F)C(C(CCC3)=O)=C3N3)c3n2)c1

InChI

InChI=1S/C23H21FN4OS/c1-14-6-4-7-15(12-14)13-30-23-26-22-25-18-10-5-11-19(29)20(18)21(28(22)27-23)16-8-2-3-9-17(16)24/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,25,26,27)/t21-/m0/s1

InChI Key

JUYVOIDQIADRMD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14779408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.29

Polar Surface Area

49.067

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C650-0152 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 C650-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0152?
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What is the minimum amount of C650-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0152
  • 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 C650-0152 available by request