F819-0115 Screening compound: 6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F819-0115 Screening compound: 6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F819-0115 Screening compound: 6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F819-0115
6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F819-0115

Molecular Formula

C21H19ClN4O5S (C21 H19 ClN4 O5 S)

Compound Name

6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-4-({3-[4-(pyrrolidine-1-sulfonyl)phenyl]-124-oxadiazol-5-yl}methyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1N(Cc2nc(-c(cc3)ccc3S(N3CCCC3)(=O)=O)no2)c(cc(cc2)Cl)c2OC1

InChI

InChI=1S/C21H19ClN4O5S/c22-15-5-8-18-17(11-15)26(20(27)13-30-18)12-19-23-21(24-31-19)14-3-6-16(7-4-14)32(28,29)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2

InChI Key

MAWRDQWBWMTHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.425

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.93

Polar Surface Area

87.488

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with F819-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F819-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F819-0115
  • 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 F819-0115 available by request