M027-0697 Screening compound: 1-{3-[2-(4-chlorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}azepane

M027-0697 Screening compound: 1-{3-[2-(4-chlorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}azepane
M027-0697 Screening compound: 1-{3-[2-(4-chlorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M027-0697
1-{3-[2-(4-chlorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}azepane

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

M027-0697

Molecular Formula

C17H20ClN3O4S (C17 H20 ClN3 O4 S)

Compound Name

1-{3-[2-(4-chlorobenzenesulfonyl)ethyl]-1,2,4-oxadiazole-5-carbonyl}azepane

IUPAC name

n/a

SMILES

O=C(c1nc(CCS(c(cc2)ccc2Cl)(=O)=O)no1)N1CCCCCC1

InChI

InChI=1S/C17H20ClN3O4S/c18-13-5-7-14(8-6-13)26(23,24)12-9-15-19-16(25-20-15)17(22)21-10-3-1-2-4-11-21/h5-8H,1-4,9-12H2

InChI Key

RLYZQQVACGPNLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.43

Polar Surface Area

78.922

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

M027-0697 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M027-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M027-0697?
Check Price and Availability of M027-0697, 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 M027-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M027-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M027-0697
  • 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 M027-0697 available by request