8610-0625 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-morpholino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione

8610-0625 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-morpholino-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8610-0625 Screening compound: 4-(3-bromobenzyl)-5,8-difluoro-7-morpholino-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 8610-0625
4-(3-bromobenzyl)-5,8-difluoro-7-morpholino-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

8610-0625

Molecular Formula

C18H18BrF2N3O3S (C18 H18 BrF2 N3 O3 S)

Compound Name

4-(3-bromobenzyl)-5,8-difluoro-7-morpholino-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-(morpholin-4-yl)-2H3H4H-1lambda6-pyrido[43-b][14]thiazine-11-dione

SMILES

O=S(CCN(Cc1cccc(Br)c1)c1c(nc2N3CCOCC3)F)(c1c2F)=O

InChI

InChI=1S/C18H18BrF2N3O3S/c19-13-3-1-2-12(10-13)11-24-6-9-28(25,26)16-14(20)18(22-17(21)15(16)24)23-4-7-27-8-5-23/h1-3,10H,4-9,11H2

InChI Key

XTRIENOZZCURDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.31

Polar Surface Area

55.046

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8610-0625 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

PI3K-Targeted Library (17255 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8610-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0625?
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What is the minimum amount of 8610-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0625
  • 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 8610-0625 available by request