E772-0211 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0211 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0211 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0211
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)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

E772-0211

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-4-({2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}methyl)benzamide

SMILES

COc1cc(OC)c(CCNC(c2ccc(CN3c4cccnc4SCC3=O)cc2)=O)cc1

InChI

InChI=1S/C25H25N3O4S/c1-31-20-10-9-18(22(14-20)32-2)11-13-26-24(30)19-7-5-17(6-8-19)15-28-21-4-3-12-27-25(21)33-16-23(28)29/h3-10,12,14H,11,13,15-16H2,1-2H3,(H,26,30)

InChI Key

LQROUDLRFVDVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

3.216

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.55

Polar Surface Area

66.100

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E772-0211 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E772-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E772-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0211
  • 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 E772-0211 available by request