C202-3886 Screening compound: 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

C202-3886 Screening compound: 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
C202-3886 Screening compound: 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3886
5-(4-methoxyphenyl)-3-phenyl-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

C202-3886

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

5-(4-methoxyphenyl)-3-phenyl-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

COc1ccc(C(C2)N(C(N)=S)N=C2c2ccccc2)cc1

InChI

InChI=1S/C17H17N3OS/c1-21-14-9-7-13(8-10-14)16-11-15(19-20(16)17(18)22)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,18,22)/t16-/m0/s1

InChI Key

KDDOGHMAISXZPS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08674220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.68

Polar Surface Area

38.243

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C202-3886 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-3886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3886?
Check Price and Availability of C202-3886, 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 C202-3886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3886
  • 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 C202-3886 available by request