Y509-5642 Screening compound: N'-[1-({4-[(anilinocarbothioyl)amino]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-4-yl]-N-phenylthiourea

Y509-5642 Screening compound: N'-[1-({4-[(anilinocarbothioyl)amino]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-4-yl]-N-phenylthiourea
Y509-5642 Screening compound: N'-[1-({4-[(anilinocarbothioyl)amino]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-4-yl]-N-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5642
N'-[1-({4-[(anilinocarbothioyl)amino]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-4-yl]-N-phenylthiourea

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

Y509-5642

Molecular Formula

C21H20N8S2 (C21 H20 N8 S2)

Compound Name

N'-[1-({4-[(anilinocarbothioyl)amino]-1H-pyrazol-1-yl}methyl)-1H-pyrazol-4-yl]-N-phenylthiourea

IUPAC name

n/a

SMILES

S=C(Nc1cn(Cn2ncc(NC(Nc3ccccc3)=S)c2)nc1)Nc1ccccc1

InChI

InChI=1S/C21H20N8S2/c30-20(24-16-7-3-1-4-8-16)26-18-11-22-28(13-18)15-29-14-19(12-23-29)27-21(31)25-17-9-5-2-6-10-17/h1-14H,15H2,(H2,24,26,30)(H2,25,27,31)

InChI Key

IVJXUQQDOARWFS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.48

Polar Surface Area

68.588

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with Y509-5642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5642?
Check Price and Availability of Y509-5642, 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 Y509-5642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5642
  • 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 Y509-5642 available by request