C650-0062 Screening compound: 9-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0062 Screening compound: 9-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0062 Screening compound: 9-(2-methylphenyl)-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 C650-0062
9-(2-methylphenyl)-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

C650-0062

Molecular Formula

C24H24N4OS (C24 H24 N4 OS)

Compound Name

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

SMILES

Cc1cccc(CSc2nn(C(c3c(C)cccc3)C(C(CCC3)=O)=C3N3)c3n2)c1

InChI

InChI=1S/C24H24N4OS/c1-15-7-5-9-17(13-15)14-30-24-26-23-25-19-11-6-12-20(29)21(19)22(28(23)27-24)18-10-4-3-8-16(18)2/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3,(H,25,26,27)/t22-/m0/s1

InChI Key

XSKQXBZDVLJLAL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14779390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.55

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

5.697

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.29

Polar Surface Area

49.067

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C650-0062 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 C650-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0062?
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What is the minimum amount of C650-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0062
  • 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 C650-0062 available by request