C289-0036 Screening compound: 13-(azepane-1-carbonyl)-10,11-diethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

C289-0036 Screening compound: 13-(azepane-1-carbonyl)-10,11-diethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one
C289-0036 Screening compound: 13-(azepane-1-carbonyl)-10,11-diethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0036
13-(azepane-1-carbonyl)-10,11-diethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

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

C289-0036

Molecular Formula

C28H34N2O4 (C28 H34 N2 O4)

Compound Name

13-(azepane-1-carbonyl)-10,11-diethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-one

IUPAC name

13-(azepane-1-carbonyl)-1011-diethoxy-7812b13-tetrahydro-5H-6-azatetraphen-5-one

SMILES

CCOc1cc(CCN(C2C(C(N3CCCCCC3)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C28H34N2O4/c1-3-33-23-17-19-13-16-30-26(22(19)18-24(23)34-4-2)25(20-11-7-8-12-21(20)27(30)31)28(32)29-14-9-5-6-10-15-29/h7-8,11-12,17-18,25-26H,3-6,9-10,13-16H2,1-2H3

InChI Key

JDBQOOWHPUBOEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.56

Polar Surface Area

47.346

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C289-0036 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C289-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0036?
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What is the minimum amount of C289-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0036
  • 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 C289-0036 available by request