8018-5504 Screening compound: 5-oxo-5-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid

8018-5504 Screening compound: 5-oxo-5-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid
8018-5504 Screening compound: 5-oxo-5-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5504
5-oxo-5-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid

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

8018-5504

Molecular Formula

C15H19NO3 (C15 H19 NO3)

Compound Name

5-oxo-5-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid

IUPAC name

5-oxo-5-(2345-tetrahydro-1H-1-benzazepin-1-yl)pentanoic acid

SMILES

OC(CCCC(N(CCCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C15H19NO3/c17-14(9-5-10-15(18)19)16-11-4-3-7-12-6-1-2-8-13(12)16/h1-2,6,8H,3-5,7,9-11H2,(H,18,19)

InChI Key

WFHMFLADMQQOSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

-0.421

Water Solubility, LogSw

-2.24

Polar Surface Area

44.010

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

8018-5504 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-5504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5504?
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What is the minimum amount of 8018-5504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5504
  • 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 8018-5504 available by request