Y501-8251 Screening compound: N-(3-chlorophenyl)-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1-hydrazinecarbothioamide

Y501-8251 Screening compound: N-(3-chlorophenyl)-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1-hydrazinecarbothioamide

Chemical Structure Depiction of ChemDiv screening compound Y501-8251
N-(3-chlorophenyl)-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1-hydrazinecarbothioamide

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

Y501-8251

Molecular Formula

C14H13ClF3N5OS (C14 H13 ClF3 N5 OS)

Compound Name

N-(3-chlorophenyl)-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1-hydrazinecarbothioamide

IUPAC name

N-{[(3-chlorophenyl)carbamothioyl]amino}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide

SMILES

Cc1cc(C(F)(F)F)nn1CC(NNC(Nc1cccc(Cl)c1)=S)=O

InChI

InChI=1S/C14H13ClF3N5OS/c1-8-5-11(14(16,17)18)22-23(8)7-12(24)20-21-13(25)19-10-4-2-3-9(15)6-10/h2-6H,7H2,1H3,(H,20,24)(H2,19,21,25)

InChI Key

MQTJXUOOBRWGQV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-3.45

Polar Surface Area

61.153

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with Y501-8251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8251?
Check Price and Availability of Y501-8251, 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 Y501-8251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8251
  • 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 Y501-8251 available by request