8009-2505 Screening compound: 1-phenyl-3-{4-[(phenylcarbamothioyl)amino]phenyl}thiourea

8009-2505 Screening compound: 1-phenyl-3-{4-[(phenylcarbamothioyl)amino]phenyl}thiourea
8009-2505 Screening compound: 1-phenyl-3-{4-[(phenylcarbamothioyl)amino]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2505
1-phenyl-3-{4-[(phenylcarbamothioyl)amino]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

8009-2505

Molecular Formula

C20H18N4S2 (C20 H18 N4 S2)

Compound Name

1-phenyl-3-{4-[(phenylcarbamothioyl)amino]phenyl}thiourea

IUPAC name

1-phenyl-3-{4-[(phenylcarbamothioyl)amino]phenyl}thiourea

SMILES

S=C(Nc1ccccc1)Nc(cc1)ccc1NC(Nc1ccccc1)=S

InChI

InChI=1S/C20H18N4S2/c25-19(21-15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(26)22-16-9-5-2-6-10-16/h1-14H,(H2,21,23,25)(H2,22,24,26)

InChI Key

CUUPMTYGTPOVMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-4.93

Polar Surface Area

37.884

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-2505 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-2505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2505?
Check Price and Availability of 8009-2505, 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 8009-2505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2505
  • 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 8009-2505 available by request