D289-0352 Screening compound: methyl 3-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate

D289-0352 Screening compound: methyl 3-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate
D289-0352 Screening compound: methyl 3-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0352
methyl 3-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate

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

D289-0352

Molecular Formula

C25H24N2O5S (C25 H24 N2 O5 S)

Compound Name

methyl 3-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate

IUPAC name

methyl 3-(2-{13-ethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl}acetamido)-4-methylbenzoate

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(Nc1c(C)ccc(C(OC)=O)c1)=O)S3(=O)=O

InChI

InChI=1S/C25H24N2O5S/c1-4-17-10-12-22-20(13-17)19-7-5-6-8-23(19)33(30,31)27(22)15-24(28)26-21-14-18(25(29)32-3)11-9-16(21)2/h5-14H,4,15H2,1-3H3,(H,26,28)

InChI Key

TXDWVNMQXOPYKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.52

Polar Surface Area

74.387

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D289-0352 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D289-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0352?
Check Price and Availability of D289-0352, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D289-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0352
  • 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 D289-0352 available by request