F820-1272 Screening compound: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

F820-1272 Screening compound: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
F820-1272 Screening compound: 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F820-1272
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

F820-1272

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

3-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]-N-ethyl-N-(3-methylphenyl)-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CCN(c1cc(C)ccc1)S(c(cc1)cc(O2)c1N(Cc1noc(C3CC3)n1)C2=O)(=O)=O

InChI

InChI=1S/C22H22N4O5S/c1-3-26(16-6-4-5-14(2)11-16)32(28,29)17-9-10-18-19(12-17)30-22(27)25(18)13-20-23-21(31-24-20)15-7-8-15/h4-6,9-12,15H,3,7-8,13H2,1-2H3

InChI Key

QESHXKUWXNVZCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.148

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.34

Polar Surface Area

87.808

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F820-1272 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 F820-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F820-1272?
Check Price and Availability of F820-1272, 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 F820-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F820-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F820-1272
  • 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 F820-1272 available by request