8020-6984 Screening compound: 1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

8020-6984 Screening compound: 1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
8020-6984 Screening compound: 1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6984
1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-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

8020-6984

Molecular Formula

C19H23N3O2S (C19 H23 N3 O2 S)

Compound Name

1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

IUPAC name

1-cyclohexyl-4-(3-methoxyphenyl)-6-methyl-1H2H3H4H-pyrazolo[34-d][13]thiazin-3-one

SMILES

CC(SC1c2cc(OC)ccc2)=NC(N(C2CCCCC2)N2)=C1C2=O

InChI

InChI=1S/C19H23N3O2S/c1-12-20-18-16(17(25-12)13-7-6-10-15(11-13)24-2)19(23)21-22(18)14-8-4-3-5-9-14/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3,(H,21,23)/t17-/m1/s1

InChI Key

WBXBVZZDNHORAW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD26098623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.24

Polar Surface Area

43.674

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

8020-6984 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 8020-6984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6984?
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What is the minimum amount of 8020-6984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6984
  • 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 8020-6984 available by request