Y503-4636 Screening compound: 2-{[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]imino}-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolan-4-one

Y503-4636 Screening compound: 2-{[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]imino}-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolan-4-one
Y503-4636 Screening compound: 2-{[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]imino}-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4636
2-{[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]imino}-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolan-4-one

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

Y503-4636

Molecular Formula

C18H17ClN6OS (C18 H17 ClN6 OS)

Compound Name

2-{[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]imino}-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolan-4-one

IUPAC name

(2Z)-2-({1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}imino)-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-13-thiazolidin-4-one

SMILES

Cn1ncc(CN(C(CS2)=O)/C2=N/c2cn(Cc3cccc(Cl)c3)nc2)c1

InChI

InChI=1S/C18H17ClN6OS/c1-23-8-14(6-20-23)10-25-17(26)12-27-18(25)22-16-7-21-24(11-16)9-13-3-2-4-15(19)5-13/h2-8,11H,9-10,12H2,1H3

InChI Key

DOYSUCAVZJPGJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.92

Polar Surface Area

54.728

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y503-4636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4636?
Check Price and Availability of Y503-4636, 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 Y503-4636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4636
  • 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 Y503-4636 available by request