K007-0526 Screening compound: methyl 2-{2-[(E)-1-(5-chloro-2-thienyl)ethylidene]hydrazino}-4-(trifluoromethyl)-5-pyrimidinecarboxylate

K007-0526 Screening compound: methyl 2-{2-[(E)-1-(5-chloro-2-thienyl)ethylidene]hydrazino}-4-(trifluoromethyl)-5-pyrimidinecarboxylate
K007-0526 Screening compound: methyl 2-{2-[(E)-1-(5-chloro-2-thienyl)ethylidene]hydrazino}-4-(trifluoromethyl)-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K007-0526
methyl 2-{2-[(E)-1-(5-chloro-2-thienyl)ethylidene]hydrazino}-4-(trifluoromethyl)-5-pyrimidinecarboxylate

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

K007-0526

Molecular Formula

C13H10ClF3N4O2S (C13 H10 ClF3 N4 O2 S)

Compound Name

methyl 2-{2-[(E)-1-(5-chloro-2-thienyl)ethylidene]hydrazino}-4-(trifluoromethyl)-5-pyrimidinecarboxylate

IUPAC name

methyl 2-[(2E)-2-[1-(5-chlorothiophen-2-yl)ethylidene]hydrazin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

SMILES

C/C(/c(s1)ccc1Cl)=N\Nc(nc1)nc(C(F)(F)F)c1C(OC)=O

InChI

InChI=1S/C13H10ClF3N4O2S/c1-6(8-3-4-9(14)24-8)20-21-12-18-5-7(11(22)23-2)10(19-12)13(15,16)17/h3-5H,1-2H3,(H,18,19,21)

InChI Key

WDPZEOGAMMMZIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.50

Polar Surface Area

63.853

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

K007-0526 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K007-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K007-0526?
Check Price and Availability of K007-0526, 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 K007-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K007-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K007-0526
  • 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 K007-0526 available by request