M248-3682 Screening compound: 4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M248-3682 Screening compound: 4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M248-3682 Screening compound: 4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-3682
4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

M248-3682

Molecular Formula

C20H24N4O4 (C20 H24 N4 O4)

Compound Name

4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(morpholine-4-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

CCn1nccc1C(N1Cc(cc(cc2)C(N3CCOCC3)=O)c2OCC1)=O

InChI

InChI=1S/C20H24N4O4/c1-2-24-17(5-6-21-24)20(26)23-9-12-28-18-4-3-15(13-16(18)14-23)19(25)22-7-10-27-11-8-22/h3-6,13H,2,7-12,14H2,1H3

InChI Key

FYCJVWWVRSWQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31952763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.555

Distribution Coefficient, logD

0.555

Water Solubility, LogSw

-1.64

Polar Surface Area

62.477

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M248-3682 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M248-3682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-3682?
Check Price and Availability of M248-3682, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M248-3682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-3682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-3682
  • 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 M248-3682 available by request