E235-1059 Screening compound: ethyl 1-[4-(3-methoxyphenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene-10-carbonyl]piperidine-4-carboxylate

E235-1059 Screening compound: ethyl 1-[4-(3-methoxyphenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene-10-carbonyl]piperidine-4-carboxylate
E235-1059 Screening compound: ethyl 1-[4-(3-methoxyphenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene-10-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1059
ethyl 1-[4-(3-methoxyphenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene-10-carbonyl]piperidine-4-carboxylate

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

E235-1059

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

ethyl 1-[4-(3-methoxyphenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene-10-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[4-(3-methoxyphenyl)-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)cc(s2)c1n1c2nc(-c2cc(OC)ccc2)c1)=O)=O

InChI

InChI=1S/C25H25N3O4S/c1-3-32-24(30)16-9-11-27(12-10-16)23(29)18-7-8-21-22(14-18)33-25-26-20(15-28(21)25)17-5-4-6-19(13-17)31-2/h4-8,13-16H,3,9-12H2,1-2H3

InChI Key

RMPNSADLZUNECE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-4.14

Polar Surface Area

53.891

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E235-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1059?
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What is the minimum amount of E235-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1059
  • 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 E235-1059 available by request