M248-0238 Screening compound: N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

M248-0238 Screening compound: N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
M248-0238 Screening compound: N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M248-0238
N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

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

M248-0238

Molecular Formula

C23H21FN2O3S (C23 H21 FN2 O3 S)

Compound Name

N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide

IUPAC name

N-[(2-fluorophenyl)methyl]-4-[2-(thiophen-2-yl)acetyl]-2345-tetrahydro-14-benzoxazepine-7-carboxamide

SMILES

O=C(Cc1cccs1)N1Cc(cc(cc2)C(NCc(cccc3)c3F)=O)c2OCC1

InChI

InChI=1S/C23H21FN2O3S/c24-20-6-2-1-4-17(20)14-25-23(28)16-7-8-21-18(12-16)15-26(9-10-29-21)22(27)13-19-5-3-11-30-19/h1-8,11-12H,9-10,13-15H2,(H,25,28)

InChI Key

RXWKLAQKEMEVFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.11

Polar Surface Area

49.735

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

M248-0238 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 M248-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M248-0238?
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What is the minimum amount of M248-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M248-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M248-0238
  • 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 M248-0238 available by request