K786-3099 Screening compound: 2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate

K786-3099 Screening compound: 2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate
K786-3099 Screening compound: 2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3099
2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate

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

K786-3099

Molecular Formula

C21H17ClN2O3S2 (C21 H17 ClN2 O3 S2)

Compound Name

2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate

IUPAC name

2-chlorophenyl 2-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylate

SMILES

CSc1cccc(NC(CSc(nccc2)c2C(Oc(cccc2)c2Cl)=O)=O)c1

InChI

InChI=1S/C21H17ClN2O3S2/c1-28-15-7-4-6-14(12-15)24-19(25)13-29-20-16(8-5-11-23-20)21(26)27-18-10-3-2-9-17(18)22/h2-12H,13H2,1H3,(H,24,25)

InChI Key

BQFBDOGQEYNTEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.86

Polar Surface Area

52.760

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K786-3099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3099?
Check Price and Availability of K786-3099, 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 K786-3099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3099
  • 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 K786-3099 available by request