K786-2876 Screening compound: 3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate

K786-2876 Screening compound: 3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate
K786-2876 Screening compound: 3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2876
3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propyl 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

K786-2876

Molecular Formula

C14H18N4O5S (C14 H18 N4 O5 S)

Compound Name

3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propyl acetate

IUPAC name

3-{[4-nitro-7-(propan-2-ylsulfanyl)-213-benzoxadiazol-5-yl]amino}propyl acetate

SMILES

CC(C)Sc(c1nonc11)cc(NCCCOC(C)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H18N4O5S/c1-8(2)24-11-7-10(15-5-4-6-22-9(3)19)14(18(20)21)13-12(11)16-23-17-13/h7-8,15H,4-6H2,1-3H3

InChI Key

QDFVTWXWAOOYCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-3.97

Polar Surface Area

100.678

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K786-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2876?
Check Price and Availability of K786-2876, 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 K786-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2876
  • 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 K786-2876 available by request