8019-6652 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1H,4H-pyrazolo[3,4-d][1,3]thiazine

8019-6652 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1H,4H-pyrazolo[3,4-d][1,3]thiazine
8019-6652 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1H,4H-pyrazolo[3,4-d][1,3]thiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6652
4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1H,4H-pyrazolo[3,4-d][1,3]thiazine

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

8019-6652

Molecular Formula

C20H16FN3O2S (C20 H16 FN3 O2 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3,6-dimethyl-1H,4H-pyrazolo[3,4-d][1,3]thiazine

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1-(4-fluorophenyl)-36-dimethyl-1H4H-pyrazolo[34-d][13]thiazine

SMILES

Cc(c1c2N=C(C)SC1c(cc1)cc3c1OCO3)nn2-c(cc1)ccc1F

InChI

InChI=1S/C20H16FN3O2S/c1-11-18-19(13-3-8-16-17(9-13)26-10-25-16)27-12(2)22-20(18)24(23-11)15-6-4-14(21)5-7-15/h3-9,19H,10H2,1-2H3/t19-/m1/s1

InChI Key

YQMVIJOFYICFTP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10038847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.74

Polar Surface Area

38.992

Acid Dissociation Constant (pKa)

19.10

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8019-6652 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6652?
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What is the minimum amount of 8019-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6652
  • 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 8019-6652 available by request