3740-0946 Screening compound: 5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

3740-0946 Screening compound: 5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
3740-0946 Screening compound: 5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0946
5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

3740-0946

Molecular Formula

C21H19N3OS2 (C21 H19 N3 OS2)

Compound Name

5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

5-(4-methoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

COc1ccc(C(C2)N(C(Nc3ccccc3)=S)N=C2c2cccs2)cc1

InChI

InChI=1S/C21H19N3OS2/c1-25-17-11-9-15(10-12-17)19-14-18(20-8-5-13-27-20)23-24(19)21(26)22-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,22,26)/t19-/m0/s1

InChI Key

VSCRELJCJBYLFS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02711275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.522

Distribution Coefficient, logD

5.522

Water Solubility, LogSw

-5.65

Polar Surface Area

29.927

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3740-0946 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3740-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0946?
Check Price and Availability of 3740-0946, 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 3740-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0946
  • 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 3740-0946 available by request