0784-0199 Screening compound: 1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]thiourea

0784-0199 Screening compound: 1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]thiourea
0784-0199 Screening compound: 1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0784-0199
1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]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

0784-0199

Molecular Formula

C22H20N6S2 (C22 H20 N6 S2)

Compound Name

1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]thiourea

IUPAC name

1-phenyl-3-[(E)-({4-[(E)-{[(phenylcarbamothioyl)amino]imino}methyl]phenyl}methylidene)amino]thiourea

SMILES

S=C(Nc1ccccc1)N/N=C/c1ccc(/C=N/NC(Nc2ccccc2)=S)cc1

InChI

InChI=1S/C22H20N6S2/c29-21(25-19-7-3-1-4-8-19)27-23-15-17-11-13-18(14-12-17)16-24-28-22(30)26-20-9-5-2-6-10-20/h1-16H,(H2,25,27,29)(H2,26,28,30)

InChI Key

TWESZBIYFUDTCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00346110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.93

Polar Surface Area

62.333

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0784-0199 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
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 0784-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0784-0199?
Check Price and Availability of 0784-0199, 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 0784-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0784-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0784-0199
  • 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 0784-0199 available by request