8610-0260 Screening compound: methyl 3-{[8-chloro-7-fluoro-1,1-dioxo-4-(3-pyridylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate

8610-0260 Screening compound: methyl 3-{[8-chloro-7-fluoro-1,1-dioxo-4-(3-pyridylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate
8610-0260 Screening compound: methyl 3-{[8-chloro-7-fluoro-1,1-dioxo-4-(3-pyridylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0260
methyl 3-{[8-chloro-7-fluoro-1,1-dioxo-4-(3-pyridylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate

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

8610-0260

Molecular Formula

C21H17ClFN3O5S (C21 H17 ClFN3 O5 S)

Compound Name

methyl 3-{[8-chloro-7-fluoro-1,1-dioxo-4-(3-pyridylmethyl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate

IUPAC name

methyl 3-({8-chloro-7-fluoro-11-dioxo-4-[(pyridin-3-yl)methyl]-2H3H4H-1lambda6-pyrido[43-b][14]thiazin-5-yl}oxy)benzoate

SMILES

COC(c1cccc(Oc(c(N(Cc2cnccc2)CC2)c3S2(=O)=O)nc(F)c3Cl)c1)=O

InChI

InChI=1S/C21H17ClFN3O5S/c1-30-21(27)14-5-2-6-15(10-14)31-20-17-18(16(22)19(23)25-20)32(28,29)9-8-26(17)12-13-4-3-7-24-11-13/h2-7,10-11H,8-9,12H2,1H3

InChI Key

DMPZJIAYBPAVBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.87

Polar Surface Area

81.949

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8610-0260 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8610-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0260?
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What is the minimum amount of 8610-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0260
  • 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 8610-0260 available by request