C200-1861 Screening compound: ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate

C200-1861 Screening compound: ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate
C200-1861 Screening compound: ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1861
ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate

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

C200-1861

Molecular Formula

C36H38N4O4S2 (C36 H38 N4 O4 S2)

Compound Name

ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate

IUPAC name

ethyl 2-{[benzyl({2-[benzyl({[2-(ethoxycarbonyl)phenyl]carbamothioyl})amino]ethyl})carbamothioyl]amino}benzoate

SMILES

CCOC(c(cccc1)c1NC(N(CCN(Cc1ccccc1)C(Nc(cccc1)c1C(OCC)=O)=S)Cc1ccccc1)=S)=O

InChI

InChI=1S/C36H38N4O4S2/c1-3-43-33(41)29-19-11-13-21-31(29)37-35(45)39(25-27-15-7-5-8-16-27)23-24-40(26-28-17-9-6-10-18-28)36(46)38-32-22-14-12-20-30(32)34(42)44-4-2/h5-22H,3-4,23-26H2,1-2H3,(H,37,45)(H,38,46)

InChI Key

CICRGVLMPBUVIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

654.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.279

Distribution Coefficient, logD

8.279

Water Solubility, LogSw

-5.81

Polar Surface Area

60.957

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C200-1861 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 C200-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1861?
Check Price and Availability of C200-1861, 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 C200-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1861
  • 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 C200-1861 available by request