K256-0200 Screening compound: methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate

K256-0200 Screening compound: methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate
K256-0200 Screening compound: methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K256-0200
methyl 2-{[(butan-2-yl)carbamothioyl]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

K256-0200

Molecular Formula

C12H17N3O2S (C12 H17 N3 O2 S)

Compound Name

methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate

IUPAC name

methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate

SMILES

CCC(C)NC(Nc1ncccc1C(OC)=O)=S

InChI

InChI=1S/C12H17N3O2S/c1-4-8(2)14-12(18)15-10-9(11(16)17-3)6-5-7-13-10/h5-8H,4H2,1-3H3,(H2,13,14,15,18)/t8-/m0/s1

InChI Key

KMFBKKCPLKXIMM-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03830107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.98

Polar Surface Area

50.957

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

K256-0200 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 K256-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K256-0200?
Check Price and Availability of K256-0200, 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 K256-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K256-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K256-0200
  • 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 K256-0200 available by request