K786-2881 Screening compound: 3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

K786-2881 Screening compound: 3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
K786-2881 Screening compound: 3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2881
3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-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

K786-2881

Molecular Formula

C17H15N5O7S (C17 H15 N5 O7 S)

Compound Name

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

IUPAC name

3-({4-nitro-7-[(4-nitrophenyl)sulfanyl]-213-benzoxadiazol-5-yl}amino)propyl acetate

SMILES

CC(OCCCNc(cc(c1nonc11)Sc(cc2)ccc2[N+]([O-])=O)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H15N5O7S/c1-10(23)28-8-2-7-18-13-9-14(15-16(20-29-19-15)17(13)22(26)27)30-12-5-3-11(4-6-12)21(24)25/h3-6,9,18H,2,7-8H2,1H3

InChI Key

KTPALSCVAPIRAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.4

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.40

Polar Surface Area

133.788

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with K786-2881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2881?
Check Price and Availability of K786-2881, 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 K786-2881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2881
  • 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 K786-2881 available by request