E986-0892 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(1-methyl-3-phenylpropyl)-4-oxobutanamide

E986-0892 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(1-methyl-3-phenylpropyl)-4-oxobutanamide
E986-0892 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(1-methyl-3-phenylpropyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E986-0892
4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(1-methyl-3-phenylpropyl)-4-oxobutanamide

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

E986-0892

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(1-methyl-3-phenylpropyl)-4-oxobutanamide

IUPAC name

4-{15-methoxy-2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}-4-oxo-N-(4-phenylbutan-2-yl)butanamide

SMILES

CC(CCc1ccccc1)NC(CCC(N(C1)c(cccn2)c2Oc2c1cccc2OC)=O)=O

InChI

InChI=1S/C27H29N3O4/c1-19(13-14-20-8-4-3-5-9-20)29-24(31)15-16-25(32)30-18-21-10-6-12-23(33-2)26(21)34-27-22(30)11-7-17-28-27/h3-12,17,19H,13-16,18H2,1-2H3,(H,29,31)/t19-/m0/s1

InChI Key

GZRFNKKVNHYIJK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14936174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.20

Polar Surface Area

63.376

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

E986-0892 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E986-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E986-0892?
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What is the minimum amount of E986-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E986-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E986-0892
  • 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 E986-0892 available by request