K845-0042 Screening compound: N-[(3,4-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide

K845-0042 Screening compound: N-[(3,4-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide
K845-0042 Screening compound: N-[(3,4-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K845-0042
N-[(3,4-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide

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

K845-0042

Molecular Formula

C20H15Cl2FN2OS (C20 H15 Cl2 FN2 OS)

Compound Name

N-[(3,4-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide

IUPAC name

N-[(34-dichlorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxamide

SMILES

O=C(c(cccn1)c1SCc(cccc1)c1F)NCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C20H15Cl2FN2OS/c21-16-8-7-13(10-17(16)22)11-25-19(26)15-5-3-9-24-20(15)27-12-14-4-1-2-6-18(14)23/h1-10H,11-12H2,(H,25,26)

InChI Key

FQUGUOLCMPLQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.98

Polar Surface Area

33.559

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K845-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K845-0042?
Check Price and Availability of K845-0042, 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 K845-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K845-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K845-0042
  • 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 K845-0042 available by request