K845-0109 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-N~3~-heptylnicotinamide

K845-0109 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-N~3~-heptylnicotinamide
K845-0109 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-N~3~-heptylnicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K845-0109
2-[(3-fluorobenzyl)sulfanyl]-N~3~-heptylnicotinamide

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

K845-0109

Molecular Formula

C20H25FN2OS (C20 H25 FN2 OS)

Compound Name

2-[(3-fluorobenzyl)sulfanyl]-N~3~-heptylnicotinamide

IUPAC name

2-{[(3-fluorophenyl)methyl]sulfanyl}-N-heptylpyridine-3-carboxamide

SMILES

CCCCCCCNC(c1cccnc1SCc1cc(F)ccc1)=O

InChI

InChI=1S/C20H25FN2OS/c1-2-3-4-5-6-12-22-19(24)18-11-8-13-23-20(18)25-15-16-9-7-10-17(21)14-16/h7-11,13-14H,2-6,12,15H2,1H3,(H,22,24)

InChI Key

JXCMVVLVICGPSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-5.22

Polar Surface Area

33.673

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K845-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K845-0109?
Check Price and Availability of K845-0109, 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 K845-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K845-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K845-0109
  • 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 K845-0109 available by request