K786-2858 Screening compound: 2-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

K786-2858 Screening compound: 2-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
K786-2858 Screening compound: 2-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2858
2-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

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

K786-2858

Molecular Formula

C17H15ClN4O5S (C17 H15 ClN4 O5 S)

Compound Name

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

IUPAC name

2-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethyl propanoate

SMILES

CCC(OCCNc(cc(c1nonc11)Sc(cc2)ccc2Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H15ClN4O5S/c1-2-14(23)26-8-7-19-12-9-13(28-11-5-3-10(18)4-6-11)15-16(21-27-20-15)17(12)22(24)25/h3-6,9,19H,2,7-8H2,1H3

InChI Key

SISRGUOAAMGZND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.85

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

5.343

Distribution Coefficient, logD

5.343

Water Solubility, LogSw

-5.83

Polar Surface Area

99.709

Acid Dissociation Constant (pKa)

16.50

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 K786-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2858?
Check Price and Availability of K786-2858, 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 K786-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2858
  • 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 K786-2858 available by request