M280-0782 Screening compound: {4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}(3-chlorophenyl)methanone

M280-0782 Screening compound: {4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}(3-chlorophenyl)methanone
M280-0782 Screening compound: {4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}(3-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M280-0782
{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}(3-chlorophenyl)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

M280-0782

Molecular Formula

C20H19Cl2N3O2 (C20 H19 Cl2 N3 O2)

Compound Name

{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}(3-chlorophenyl)methanone

IUPAC name

5-chloro-2-{[4-(3-chlorobenzoyl)-14-diazepan-1-yl]methyl}-13-benzoxazole

SMILES

O=C(c1cccc(Cl)c1)N1CCN(Cc2nc(cc(cc3)Cl)c3o2)CCC1

InChI

InChI=1S/C20H19Cl2N3O2/c21-15-4-1-3-14(11-15)20(26)25-8-2-7-24(9-10-25)13-19-23-17-12-16(22)5-6-18(17)27-19/h1,3-6,11-12H,2,7-10,13H2

InChI Key

VAKVASFIOWPNRH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.28

Polar Surface Area

37.506

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M280-0782 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M280-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M280-0782?
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What is the minimum amount of M280-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M280-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M280-0782
  • 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 M280-0782 available by request