K786-1546 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate

K786-1546 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
K786-1546 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1546
2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate

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

K786-1546

Molecular Formula

C18H14N6O6S (C18 H14 N6 O6 S)

Compound Name

2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate

IUPAC name

2-({4-nitro-7-[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]-213-benzoxadiazol-5-yl}amino)ethyl acetate

SMILES

CC(OCCNc(cc(c1nonc11)Sc2nnc(-c3ccccc3)o2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H14N6O6S/c1-10(25)28-8-7-19-12-9-13(14-15(23-30-22-14)16(12)24(26)27)31-18-21-20-17(29-18)11-5-3-2-4-6-11/h2-6,9,19H,7-8H2,1H3

InChI Key

IXIPIICGMSKRIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.41

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.10

Polar Surface Area

130.503

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K786-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1546?
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What is the minimum amount of K786-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1546
  • 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 K786-1546 available by request