C650-0107 Screening compound: 2-(butylsulfanyl)-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0107 Screening compound: 2-(butylsulfanyl)-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0107 Screening compound: 2-(butylsulfanyl)-9-(4-methoxyphenyl)-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 C650-0107
2-(butylsulfanyl)-9-(4-methoxyphenyl)-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

C650-0107

Molecular Formula

C20H24N4O2S (C20 H24 N4 O2 S)

Compound Name

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

IUPAC name

2-(butylsulfanyl)-9-(4-methoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCCCSc1nn(C(c(cc2)ccc2OC)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C20H24N4O2S/c1-3-4-12-27-20-22-19-21-15-6-5-7-16(25)17(15)18(24(19)23-20)13-8-10-14(26-2)11-9-13/h8-11,18H,3-7,12H2,1-2H3,(H,21,22,23)/t18-/m0/s1

InChI Key

PNXNPRPIRAZQLK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08808000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-4.33

Polar Surface Area

56.882

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C650-0107 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 C650-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0107?
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What is the minimum amount of C650-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0107
  • 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 C650-0107 available by request