Y501-8459 Screening compound: 2-[4-(difluoromethoxy)benzoyl]-N-(3-methoxyphenyl)-1-hydrazinecarbothioamide

Y501-8459 Screening compound: 2-[4-(difluoromethoxy)benzoyl]-N-(3-methoxyphenyl)-1-hydrazinecarbothioamide

Chemical Structure Depiction of ChemDiv screening compound Y501-8459
2-[4-(difluoromethoxy)benzoyl]-N-(3-methoxyphenyl)-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

Y501-8459

Molecular Formula

C16H15F2N3O3S (C16 H15 F2 N3 O3 S)

Compound Name

2-[4-(difluoromethoxy)benzoyl]-N-(3-methoxyphenyl)-1-hydrazinecarbothioamide

IUPAC name

4-(difluoromethoxy)-N-{[(3-methoxyphenyl)carbamothioyl]amino}benzamide

SMILES

COc1cccc(NC(NNC(c(cc2)ccc2OC(F)F)=O)=S)c1

InChI

InChI=1S/C16H15F2N3O3S/c1-23-13-4-2-3-11(9-13)19-16(25)21-20-14(22)10-5-7-12(8-6-10)24-15(17)18/h2-9,15H,1H3,(H,20,22)(H2,19,21,25)

InChI Key

UPNARYUGBFZURL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.60

Polar Surface Area

61.315

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with Y501-8459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8459?
Check Price and Availability of Y501-8459, 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 Y501-8459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8459
  • 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 Y501-8459 available by request