M280-1016 Screening compound: (4-chloro-2-methoxyphenyl){4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}methanone

M280-1016 Screening compound: (4-chloro-2-methoxyphenyl){4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}methanone
M280-1016 Screening compound: (4-chloro-2-methoxyphenyl){4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M280-1016
(4-chloro-2-methoxyphenyl){4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}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

M280-1016

Molecular Formula

C21H21ClFN3O3 (C21 H21 ClFN3 O3)

Compound Name

(4-chloro-2-methoxyphenyl){4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepan-1-yl}methanone

IUPAC name

n/a

SMILES

COc(cc(cc1)Cl)c1C(N1CCN(Cc2nc(ccc(F)c3)c3o2)CCC1)=O

InChI

InChI=1S/C21H21ClFN3O3/c1-28-18-11-14(22)3-5-16(18)21(27)26-8-2-7-25(9-10-26)13-20-24-17-6-4-15(23)12-19(17)29-20/h3-6,11-12H,2,7-10,13H2,1H3

InChI Key

RYKLOJCXSPARBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.25

Polar Surface Area

45.136

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M280-1016 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M280-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M280-1016?
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What is the minimum amount of M280-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M280-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M280-1016
  • 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 M280-1016 available by request