8610-0626 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-piperidino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0626 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-piperidino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0626 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-piperidino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0626
4-(3-bromobenzyl)-5,8-difluoro-7-piperidino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

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

8610-0626

Molecular Formula

C19H20BrF2N3O2S (C19 H20 BrF2 N3 O2 S)

Compound Name

4-(3-bromobenzyl)-5,8-difluoro-7-piperidino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

IUPAC name

4-[(3-bromophenyl)methyl]-58-difluoro-7-(piperidin-1-yl)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

O=S(CCN(Cc1cccc(Br)c1)c1c(nc2N3CCCCC3)F)(c1c2F)=O

InChI

InChI=1S/C19H20BrF2N3O2S/c20-14-6-4-5-13(11-14)12-25-9-10-28(26,27)17-15(21)19(23-18(22)16(17)25)24-7-2-1-3-8-24/h4-6,11H,1-3,7-10,12H2

InChI Key

CRTFTCFXQAZHGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.33

Polar Surface Area

47.137

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8610-0626 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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 8610-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0626?
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What is the minimum amount of 8610-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0626
  • 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 8610-0626 available by request