M613-0987 Screening compound: 2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

M613-0987 Screening compound: 2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone
M613-0987 Screening compound: 2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M613-0987
2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

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

M613-0987

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)-1-ethanone

IUPAC name

2-(3-methoxyphenyl)-1-(4-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-14-diazepan-1-yl)ethan-1-one

SMILES

Cc(cc1)ccc1-c1noc(CN(CCC2)CCN2C(Cc2cc(OC)ccc2)=O)n1

InChI

InChI=1S/C24H28N4O3/c1-18-7-9-20(10-8-18)24-25-22(31-26-24)17-27-11-4-12-28(14-13-27)23(29)16-19-5-3-6-21(15-19)30-2/h3,5-10,15H,4,11-14,16-17H2,1-2H3

InChI Key

MRPFESDEMWNNNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.08

Polar Surface Area

59.118

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M613-0987 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M613-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M613-0987?
Check Price and Availability of M613-0987, 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 M613-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M613-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M613-0987
  • 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 M613-0987 available by request