4478-5067 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

4478-5067 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea
4478-5067 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5067
3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)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

4478-5067

Molecular Formula

C14H14FN5O2S2 (C14 H14 FN5 O2 S2)

Compound Name

3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

IUPAC name

3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

SMILES

NC(NS(c(cc1)ccc1NC(Nc(cc1)ccc1F)=S)(=O)=O)=N

InChI

InChI=1S/C14H14FN5O2S2/c15-9-1-3-10(4-2-9)18-14(23)19-11-5-7-12(8-6-11)24(21,22)20-13(16)17/h1-8H,(H4,16,17,20)(H2,18,19,23)

InChI Key

CUCLXMXIBGJMCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01613250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-2.40

Polar Surface Area

99.635

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4478-5067 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro
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 4478-5067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5067?
Check Price and Availability of 4478-5067, 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 4478-5067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5067
  • 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 4478-5067 available by request