K256-0208 Screening compound: methyl 2-[({[1-(4-chloro-2,5-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]pyridine-3-carboxylate

K256-0208 Screening compound: methyl 2-[({[1-(4-chloro-2,5-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]pyridine-3-carboxylate
K256-0208 Screening compound: methyl 2-[({[1-(4-chloro-2,5-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K256-0208
methyl 2-[({[1-(4-chloro-2,5-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]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

K256-0208

Molecular Formula

C21H20ClF2N5O4S (C21 H20 ClF2 N5 O4 S)

Compound Name

methyl 2-[({[1-(4-chloro-2,5-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]pyridine-3-carboxylate

IUPAC name

methyl 2-[({[1-(4-chloro-25-difluorobenzoyl)piperidin-4-yl]formohydrazido}methanethioyl)amino]pyridine-3-carboxylate

SMILES

COC(c1cccnc1NC(NNC(C(CC1)CCN1C(c(c(F)c1)cc(F)c1Cl)=O)=O)=S)=O

InChI

InChI=1S/C21H20ClF2N5O4S/c1-33-20(32)12-3-2-6-25-17(12)26-21(34)28-27-18(30)11-4-7-29(8-5-11)19(31)13-9-16(24)14(22)10-15(13)23/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,27,30)(H2,25,26,28,34)

InChI Key

KWEXDXJSNZWUNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

0.742

Water Solubility, LogSw

-3.64

Polar Surface Area

94.676

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K256-0208 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K256-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K256-0208?
Check Price and Availability of K256-0208, 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 K256-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K256-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K256-0208
  • 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 K256-0208 available by request