8020-7058 Screening compound: methyl 2-[4-(1-isopropyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenoxy]acetate

8020-7058 Screening compound: methyl 2-[4-(1-isopropyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenoxy]acetate
8020-7058 Screening compound: methyl 2-[4-(1-isopropyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7058
methyl 2-[4-(1-isopropyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenoxy]acetate

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

8020-7058

Molecular Formula

C19H23N3O5S (C19 H23 N3 O5 S)

Compound Name

methyl 2-[4-(1-isopropyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenoxy]acetate

IUPAC name

methyl 2-{2-methoxy-4-[6-methyl-3-oxo-1-(propan-2-yl)-1H2H3H4H-pyrazolo[34-d][13]thiazin-4-yl]phenoxy}acetate

SMILES

CC(C)N(C1=C2C(c(cc3)cc(OC)c3OCC(OC)=O)SC(C)=N1)NC2=O

InChI

InChI=1S/C19H23N3O5S/c1-10(2)22-18-16(19(24)21-22)17(28-11(3)20-18)12-6-7-13(14(8-12)25-4)27-9-15(23)26-5/h6-8,10,17H,9H2,1-5H3,(H,21,24)/t17-/m1/s1

InChI Key

XYBPPWURJFFEJC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD26098675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.85

Polar Surface Area

72.696

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8020-7058 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 8020-7058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7058?
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What is the minimum amount of 8020-7058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7058
  • 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 8020-7058 available by request