Y503-3994 Screening compound: N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-[2-(difluoromethoxy)phenyl]thiourea

Y503-3994 Screening compound: N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-[2-(difluoromethoxy)phenyl]thiourea
Y503-3994 Screening compound: N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-[2-(difluoromethoxy)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3994
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-[2-(difluoromethoxy)phenyl]thiourea

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

Y503-3994

Molecular Formula

C18H14Cl2F2N4OS (C18 H14 Cl2 F2 N4 OS)

Compound Name

N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-[2-(difluoromethoxy)phenyl]thiourea

IUPAC name

3-{1-[(24-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-1-[2-(difluoromethoxy)phenyl]thiourea

SMILES

FC(Oc(cccc1)c1NC(Nc1nn(Cc(ccc(Cl)c2)c2Cl)cc1)=S)F

InChI

InChI=1S/C18H14Cl2F2N4OS/c19-12-6-5-11(13(20)9-12)10-26-8-7-16(25-26)24-18(28)23-14-3-1-2-4-15(14)27-17(21)22/h1-9,17H,10H2,(H2,23,24,25,28)

InChI Key

OHVOAAJQPASECT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-5.96

Polar Surface Area

40.011

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y503-3994 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y503-3994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3994?
Check Price and Availability of Y503-3994, 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 Y503-3994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3994
  • 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 Y503-3994 available by request