M613-1341 Screening compound: cyclopentyl(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)methanone

M613-1341 Screening compound: cyclopentyl(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)methanone
M613-1341 Screening compound: cyclopentyl(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M613-1341
cyclopentyl(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-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

M613-1341

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

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

IUPAC name

1-cyclopentanecarbonyl-4-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-14-diazepane

SMILES

COc(cc1)ccc1-c1noc(CN(CCC2)CCN2C(C2CCCC2)=O)n1

InChI

InChI=1S/C21H28N4O3/c1-27-18-9-7-16(8-10-18)20-22-19(28-23-20)15-24-11-4-12-25(14-13-24)21(26)17-5-2-3-6-17/h7-10,17H,2-6,11-15H2,1H3

InChI Key

DACDRSPDXJQTFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.30

Polar Surface Area

60.203

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

M613-1341 in Drug Discovery

Included in Screening Libraries

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

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 M613-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M613-1341?
Check Price and Availability of M613-1341, 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 M613-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M613-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M613-1341
  • 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 M613-1341 available by request