F987-0106 Screening compound: 4-({2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine

F987-0106 Screening compound: 4-({2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine
F987-0106 Screening compound: 4-({2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound F987-0106
4-({2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine

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

F987-0106

Molecular Formula

C23H23N3O5S2 (C23 H23 N3 O5 S2)

Compound Name

4-({2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine

IUPAC name

4-({2-[3-(4-ethoxyphenyl)-124-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl}sulfonyl)thiomorpholine

SMILES

CCOc(cc1)ccc1-c1noc(-c2c(C)c(cc(cc3)S(N4CCSCC4)(=O)=O)c3o2)n1

InChI

InChI=1S/C23H23N3O5S2/c1-3-29-17-6-4-16(5-7-17)22-24-23(31-25-22)21-15(2)19-14-18(8-9-20(19)30-21)33(27,28)26-10-12-32-13-11-26/h4-9,14H,3,10-13H2,1-2H3

InChI Key

LUTOKCNCGLGWDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

5.307

Water Solubility, LogSw

-5.49

Polar Surface Area

79.005

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F987-0106 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F987-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F987-0106?
Check Price and Availability of F987-0106, 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 F987-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F987-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F987-0106
  • 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 F987-0106 available by request