M248-0672 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

M248-0672 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
M248-0672 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-0672
4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-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

M248-0672

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(1-methyl-1H-pyrrole-2-carbonyl)-7-(pyrrolidine-1-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

Cn1c(C(N2Cc(cc(cc3)C(N4CCCC4)=O)c3OCC2)=O)ccc1

InChI

InChI=1S/C20H23N3O3/c1-21-8-4-5-17(21)20(25)23-11-12-26-18-7-6-15(13-16(18)14-23)19(24)22-9-2-3-10-22/h4-8,13H,2-3,9-12,14H2,1H3

InChI Key

DHUXLSFXNRABKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-2.71

Polar Surface Area

44.262

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with M248-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-0672?
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What is the minimum amount of M248-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-0672
  • 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 M248-0672 available by request