E867-0327 Screening compound: methyl 2-[3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzamido]benzoate

E867-0327 Screening compound: methyl 2-[3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzamido]benzoate
E867-0327 Screening compound: methyl 2-[3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0327
methyl 2-[3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzamido]benzoate

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

E867-0327

Molecular Formula

C23H20N4O4S (C23 H20 N4 O4 S)

Compound Name

methyl 2-[3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzamido]benzoate

IUPAC name

methyl 2-[3-({1H2H3H-pyrido[23-b][14]thiazine-1-carbonyl}amino)benzamido]benzoate

SMILES

COC(c(cccc1)c1NC(c1cccc(NC(N2c3cccnc3SCC2)=O)c1)=O)=O

InChI

InChI=1S/C23H20N4O4S/c1-31-22(29)17-8-2-3-9-18(17)26-20(28)15-6-4-7-16(14-15)25-23(30)27-12-13-32-21-19(27)10-5-11-24-21/h2-11,14H,12-13H2,1H3,(H,25,30)(H,26,28)

InChI Key

RAMUWNXKSZZPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.82

Polar Surface Area

78.992

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

E867-0327 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 E867-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0327?
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What is the minimum amount of E867-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0327
  • 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 E867-0327 available by request