8020-2176 Screening compound: 9-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

8020-2176 Screening compound: 9-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
8020-2176 Screening compound: 9-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-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 8020-2176
9-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-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

8020-2176

Molecular Formula

C17H17ClN4OS (C17 H17 ClN4 OS)

Compound Name

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

IUPAC name

9-(4-chlorophenyl)-6-methyl-2-(methylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C1)CC(Nc2nc(SC)nn2C2c(cc3)ccc3Cl)=C2C1=O

InChI

InChI=1S/C17H17ClN4OS/c1-9-7-12-14(13(23)8-9)15(10-3-5-11(18)6-4-10)22-16(19-12)20-17(21-22)24-2/h3-6,9,15H,7-8H2,1-2H3,(H,19,20,21)

InChI Key

FULOESUDTYECLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13274570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.80

Polar Surface Area

49.338

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

8020-2176 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 8020-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2176?
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What is the minimum amount of 8020-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2176
  • 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 8020-2176 available by request