M248-0653 Screening compound: [7-(1-pyrrolidinylcarbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](2-quinolyl)methanone

M248-0653 Screening compound: [7-(1-pyrrolidinylcarbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](2-quinolyl)methanone
M248-0653 Screening compound: [7-(1-pyrrolidinylcarbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-0653
[7-(1-pyrrolidinylcarbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](2-quinolyl)methanone

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

M248-0653

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

[7-(1-pyrrolidinylcarbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](2-quinolyl)methanone

IUPAC name

7-(pyrrolidine-1-carbonyl)-4-(quinoline-2-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cc1)cc(C2)c1OCCN2C(c1nc2ccccc2cc1)=O)N1CCCC1

InChI

InChI=1S/C24H23N3O3/c28-23(26-11-3-4-12-26)18-8-10-22-19(15-18)16-27(13-14-30-22)24(29)21-9-7-17-5-1-2-6-20(17)25-21/h1-2,5-10,15H,3-4,11-14,16H2

InChI Key

MBXAMMGPEHXMBX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.42

Polar Surface Area

50.176

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

M248-0653 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M248-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-0653?
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What is the minimum amount of M248-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-0653
  • 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 M248-0653 available by request