E867-0685 Screening compound: N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0685 Screening compound: N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0685 Screening compound: N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0685
N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

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

E867-0685

Molecular Formula

C25H34N6O2S (C25 H34 N6 O2 S)

Compound Name

N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-(3-{[2-(4-ethylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-68-dimethyl-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

CCN1CCN(CCNC(c2cccc(NC(N3c4c(C)cc(C)nc4SCC3)=O)c2)=O)CC1

InChI

InChI=1S/C25H34N6O2S/c1-4-29-10-12-30(13-11-29)9-8-26-23(32)20-6-5-7-21(17-20)28-25(33)31-14-15-34-24-22(31)18(2)16-19(3)27-24/h5-7,16-17H,4,8-15H2,1-3H3,(H,26,32)(H,28,33)

InChI Key

LDVXCGNVUJLHEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-3.10

Polar Surface Area

67.730

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with E867-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0685?
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What is the minimum amount of E867-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0685
  • 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 E867-0685 available by request