8017-6990 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

8017-6990 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
8017-6990 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6990
3-(1,3-benzodioxol-5-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

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

8017-6990

Molecular Formula

C15H8F2N2O3 (C15 H8 F2 N2 O3)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-(26-difluorophenyl)-124-oxadiazole

SMILES

Fc1cccc(F)c1-c1nc(-c(cc2)cc3c2OCO3)no1

InChI

InChI=1S/C15H8F2N2O3/c16-9-2-1-3-10(17)13(9)15-18-14(19-22-15)8-4-5-11-12(6-8)21-7-20-11/h1-6H,7H2

InChI Key

ZAJRIWDVTCNNBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.52

Polar Surface Area

48.760

Acid Dissociation Constant (pKa)

37.46

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

References: we are preparing a list of scientific research reports with 8017-6990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6990?
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What is the minimum amount of 8017-6990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6990
  • 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 8017-6990 available by request