K780-0442 Screening compound: methyl 4-[(4-fluorophenyl)sulfanyl]-3-nitrobenzoate

K780-0442 Screening compound: methyl 4-[(4-fluorophenyl)sulfanyl]-3-nitrobenzoate
K780-0442 Screening compound: methyl 4-[(4-fluorophenyl)sulfanyl]-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0442
methyl 4-[(4-fluorophenyl)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

K780-0442

Molecular Formula

C14H10FNO4S (C14 H10 FNO4 S)

Compound Name

methyl 4-[(4-fluorophenyl)sulfanyl]-3-nitrobenzoate

IUPAC name

methyl 4-[(4-fluorophenyl)sulfanyl]-3-nitrobenzoate

SMILES

COC(c(cc1)cc([N+]([O-])=O)c1Sc(cc1)ccc1F)=O

InChI

InChI=1S/C14H10FNO4S/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3

InChI Key

WBAXNQAKKAGETP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.54

Polar Surface Area

54.221

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

K780-0442 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0442?
Check Price and Availability of K780-0442, 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 K780-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0442
  • 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 K780-0442 available by request