K781-3509 Screening compound: methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

K781-3509 Screening compound: methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
K781-3509 Screening compound: methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3509
methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-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

K781-3509

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

IUPAC name

methyl 3-{[(4-ethylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate

SMILES

CCc(cc1)ccc1NC(Nc1n[nH]cc1C(OC)=O)=S

InChI

InChI=1S/C14H16N4O2S/c1-3-9-4-6-10(7-5-9)16-14(21)17-12-11(8-15-18-12)13(19)20-2/h4-8H,3H2,1-2H3,(H3,15,16,17,18,21)

InChI Key

GTQLARDOZJUZDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.66

Polar Surface Area

64.566

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K781-3509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3509?
Check Price and Availability of K781-3509, 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 K781-3509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3509
  • 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 K781-3509 available by request