D289-0443 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide

D289-0443 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide
D289-0443 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0443
N~1~,N~1~-diethyl-2-({2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide

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

D289-0443

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

NN-diethyl-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)benzamide

SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-4-19-15-16-24-22(17-19)20-11-8-10-14-25(20)35(33,34)30(24)18-26(31)28-23-13-9-7-12-21(23)27(32)29(5-2)6-3/h7-17H,4-6,18H2,1-3H3,(H,28,31)

InChI Key

MZLQWHGFGMRQQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.25

Polar Surface Area

69.146

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

D289-0443 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D289-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0443?
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What is the minimum amount of D289-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0443
  • 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 D289-0443 available by request