8020-7002 Screening compound: 1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

8020-7002 Screening compound: 1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
8020-7002 Screening compound: 1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7002
1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-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

8020-7002

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

1-cyclohexyl-4-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one

IUPAC name

1-cyclohexyl-4-(7-methoxy-2H-13-benzodioxol-5-yl)-6-methyl-1H2H3H4H-pyrazolo[34-d][13]thiazin-3-one

SMILES

CC(SC1c2cc(OC)c3OCOc3c2)=NC(N(C2CCCCC2)N2)=C1C2=O

InChI

InChI=1S/C20H23N3O4S/c1-11-21-19-16(20(24)22-23(19)13-6-4-3-5-7-13)18(28-11)12-8-14(25-2)17-15(9-12)26-10-27-17/h8-9,13,18H,3-7,10H2,1-2H3,(H,22,24)/t18-/m1/s1

InChI Key

IJCJIJCDRBYSMA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD26098638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.91

Polar Surface Area

60.560

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8020-7002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7002?
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What is the minimum amount of 8020-7002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7002
  • 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 8020-7002 available by request