C315-0021 Screening compound: 9-(3,4-dimethoxyphenyl)-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C315-0021 Screening compound: 9-(3,4-dimethoxyphenyl)-2-(pentylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C315-0021 Screening compound: 9-(3,4-dimethoxyphenyl)-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 C315-0021
9-(3,4-dimethoxyphenyl)-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

C315-0021

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

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

IUPAC name

9-(34-dimethoxyphenyl)-2-(pentylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCCCCSc1nn(C(c(cc2)cc(OC)c2OC)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C22H28N4O3S/c1-4-5-6-12-30-22-24-21-23-15-8-7-9-16(27)19(15)20(26(21)25-22)14-10-11-17(28-2)18(13-14)29-3/h10-11,13,20H,4-9,12H2,1-3H3,(H,23,24,25)/t20-/m0/s1

InChI Key

HNNULLLLXQQGHS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10486895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.69

Polar Surface Area

64.599

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C315-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C315-0021?
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What is the minimum amount of C315-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C315-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C315-0021
  • 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 C315-0021 available by request