8018-3365 Screening compound: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-3,1-benzothiazine-7-carboxylate

8018-3365 Screening compound: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-3,1-benzothiazine-7-carboxylate
8018-3365 Screening compound: methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-3,1-benzothiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3365
methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-3,1-benzothiazine-7-carboxylate

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

8018-3365

Molecular Formula

C20H18FN3O3S (C20 H18 FN3 O3 S)

Compound Name

methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-3,1-benzothiazine-7-carboxylate

IUPAC name

methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-4H-31-benzothiazine-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N(CC2)CCN2c(cc2)ccc2F)S2)c1C2=O)=O

InChI

InChI=1S/C20H18FN3O3S/c1-27-18(25)13-2-7-16-17(12-13)22-20(28-19(16)26)24-10-8-23(9-11-24)15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3

InChI Key

ZZSNEDDXGMAXIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.26

Polar Surface Area

49.214

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-3365 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-3365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3365?
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What is the minimum amount of 8018-3365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3365
  • 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 8018-3365 available by request