D289-0430 Screening compound: 2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-N~1~-isobutylbenzamide

D289-0430 Screening compound: 2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-N~1~-isobutylbenzamide
D289-0430 Screening compound: 2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-N~1~-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0430
2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)-N~1~-isobutylbenzamide

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

D289-0430

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(Nc(cccc1)c1C(NCC(C)C)=O)=O)S3(=O)=O

InChI

InChI=1S/C27H29N3O4S/c1-4-19-13-14-24-22(15-19)20-9-6-8-12-25(20)35(33,34)30(24)17-26(31)29-23-11-7-5-10-21(23)27(32)28-16-18(2)3/h5-15,18H,4,16-17H2,1-3H3,(H,28,32)(H,29,31)

InChI Key

FJJZKTMNBHQYRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.42

Polar Surface Area

77.898

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with D289-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0430?
Check Price and Availability of D289-0430, 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 D289-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0430
  • 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 D289-0430 available by request