Y509-5647 Screening compound: N'-{1-[(4-{[(3-chloroanilino)carbothioyl]amino}-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-yl}-N-(3-chlorophenyl)thiourea

Y509-5647 Screening compound: N'-{1-[(4-{[(3-chloroanilino)carbothioyl]amino}-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-yl}-N-(3-chlorophenyl)thiourea
Y509-5647 Screening compound: N'-{1-[(4-{[(3-chloroanilino)carbothioyl]amino}-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-yl}-N-(3-chlorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5647
N'-{1-[(4-{[(3-chloroanilino)carbothioyl]amino}-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-yl}-N-(3-chlorophenyl)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

Y509-5647

Molecular Formula

C21H18Cl2N8S2 (C21 H18 Cl2 N8 S2)

Compound Name

N'-{1-[(4-{[(3-chloroanilino)carbothioyl]amino}-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-yl}-N-(3-chlorophenyl)thiourea

IUPAC name

n/a

SMILES

S=C(Nc1cn(Cn2ncc(NC(Nc3cccc(Cl)c3)=S)c2)nc1)Nc1cc(Cl)ccc1

InChI

InChI=1S/C21H18Cl2N8S2/c22-14-3-1-5-16(7-14)26-20(32)28-18-9-24-30(11-18)13-31-12-19(10-25-31)29-21(33)27-17-6-2-4-15(23)8-17/h1-12H,13H2,(H2,26,28,32)(H2,27,29,33)

InChI Key

HXUZFPZNZXJHJD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.47

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

5.321

Distribution Coefficient, logD

5.321

Water Solubility, LogSw

-6.02

Polar Surface Area

68.588

Acid Dissociation Constant (pKa)

11.22

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 Y509-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5647?
Check Price and Availability of Y509-5647, 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 Y509-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5647
  • 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 Y509-5647 available by request