D289-0393 Screening compound: methyl 3-({2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate

D289-0393 Screening compound: methyl 3-({2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-4-methylbenzoate
D289-0393 Screening compound: methyl 3-({2-[9-isopropyl-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 D289-0393
methyl 3-({2-[9-isopropyl-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

D289-0393

Molecular Formula

C26H26N2O5S (C26 H26 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-16(2)18-11-12-23-21(13-18)20-7-5-6-8-24(20)34(31,32)28(23)15-25(29)27-22-14-19(26(30)33-4)10-9-17(22)3/h5-14,16H,15H2,1-4H3,(H,27,29)

InChI Key

AFOJWQKTSWIXRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

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

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.20

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

23.10

D289-0393 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D289-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0393?
Check Price and Availability of D289-0393, 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 D289-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0393
  • 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 D289-0393 available by request