K781-3267 Screening compound: 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-3-carboxamide

K781-3267 Screening compound: 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-3-carboxamide
K781-3267 Screening compound: 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3267
2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-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

K781-3267

Molecular Formula

C19H21BrFN3O2S (C19 H21 BrFN3 O2 S)

Compound Name

2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-3-carboxamide

IUPAC name

2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)-N-pentylpyridine-3-carboxamide

SMILES

CCCCCNC(c1cccnc1SCC(Nc(ccc(Br)c1)c1F)=O)=O

InChI

InChI=1S/C19H21BrFN3O2S/c1-2-3-4-9-22-18(26)14-6-5-10-23-19(14)27-12-17(25)24-16-8-7-13(20)11-15(16)21/h5-8,10-11H,2-4,9,12H2,1H3,(H,22,26)(H,24,25)

InChI Key

JTEHXBYYUXSTIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.379

Water Solubility, LogSw

-4.21

Polar Surface Area

56.124

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K781-3267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3267?
Check Price and Availability of K781-3267, 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 K781-3267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3267
  • 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 K781-3267 available by request