K783-3861 Screening compound: ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate

K783-3861 Screening compound: ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate
K783-3861 Screening compound: ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3861
ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate

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

K783-3861

Molecular Formula

C13H15NO6S (C13 H15 NO6 S)

Compound Name

ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate

IUPAC name

ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoate

SMILES

CCOC(CSc(ccc(C(OCC)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H15NO6S/c1-3-19-12(15)8-21-11-6-5-9(13(16)20-4-2)7-10(11)14(17)18/h5-7H,3-4,8H2,1-2H3

InChI Key

OGTOSVMZTSJOTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.77

Polar Surface Area

74.231

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with K783-3861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3861?
Check Price and Availability of K783-3861, 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 K783-3861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3861
  • 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 K783-3861 available by request