E986-0115 Screening compound: N-[2-(1-CYCLOHEXENYL)ETHYL]-4-OXO-4-PYRIDO[2,3-B][1,4]BENZOXAZEPIN-5(6H)-YLBUTANAMIDE

E986-0115 Screening compound: N-[2-(1-CYCLOHEXENYL)ETHYL]-4-OXO-4-PYRIDO[2,3-B][1,4]BENZOXAZEPIN-5(6H)-YLBUTANAMIDE
E986-0115 Screening compound: N-[2-(1-CYCLOHEXENYL)ETHYL]-4-OXO-4-PYRIDO[2,3-B][1,4]BENZOXAZEPIN-5(6H)-YLBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E986-0115
N-[2-(1-CYCLOHEXENYL)ETHYL]-4-OXO-4-PYRIDO[2,3-B][1,4]BENZOXAZEPIN-5(6H)-YLBUTANAMIDE

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

E986-0115

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

N-[2-(1-CYCLOHEXENYL)ETHYL]-4-OXO-4-PYRIDO[2,3-B][1,4]BENZOXAZEPIN-5(6H)-YLBUTANAMIDE

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}-4-oxobutanamide

SMILES

O=C(CCC(N(C1)c(cccn2)c2Oc2c1cccc2)=O)NCCC1=CCCCC1

InChI

InChI=1S/C24H27N3O3/c28-22(25-16-14-18-7-2-1-3-8-18)12-13-23(29)27-17-19-9-4-5-11-21(19)30-24-20(27)10-6-15-26-24/h4-7,9-11,15H,1-3,8,12-14,16-17H2,(H,25,28)

InChI Key

IPMSBCHSDWCTEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.54

Polar Surface Area

56.653

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E986-0115 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E986-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E986-0115?
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What is the minimum amount of E986-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E986-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E986-0115
  • 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 E986-0115 available by request