E862-0071 Screening compound: ethyl 4-{[(2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-ylcarbonyl)amino]methyl}-1-cyclohexanecarboxylate

E862-0071 Screening compound: ethyl 4-{[(2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-ylcarbonyl)amino]methyl}-1-cyclohexanecarboxylate
E862-0071 Screening compound: ethyl 4-{[(2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-ylcarbonyl)amino]methyl}-1-cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E862-0071
ethyl 4-{[(2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-ylcarbonyl)amino]methyl}-1-cyclohexanecarboxylate

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

E862-0071

Molecular Formula

C18H25N3O3S (C18 H25 N3 O3 S)

Compound Name

ethyl 4-{[(2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-ylcarbonyl)amino]methyl}-1-cyclohexanecarboxylate

IUPAC name

ethyl 4-[({1H2H3H-pyrido[23-b][14]thiazine-1-carbonyl}amino)methyl]cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(N2c3cccnc3SCC2)=O)CC1)=O

InChI

InChI=1S/C18H25N3O3S/c1-2-24-17(22)14-7-5-13(6-8-14)12-20-18(23)21-10-11-25-16-15(21)4-3-9-19-16/h3-4,9,13-14H,2,5-8,10-12H2,1H3,(H,20,23)

InChI Key

ZEQHBKPYCFWXCB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.28

Polar Surface Area

57.692

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

E862-0071 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 E862-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E862-0071?
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What is the minimum amount of E862-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E862-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E862-0071
  • 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 E862-0071 available by request