5182-0800 Screening compound: 1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]thiourea

5182-0800 Screening compound: 1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]thiourea
5182-0800 Screening compound: 1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5182-0800
1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]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

5182-0800

Molecular Formula

C15H15N5O4S2 (C15 H15 N5 O4 S2)

Compound Name

1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]thiourea

IUPAC name

1-[4-(carbamimidamidosulfonyl)phenyl]-3-[(2E)-3-(furan-2-yl)prop-2-enoyl]thiourea

SMILES

NC(NS(c(cc1)ccc1NC(NC(/C=C/c1ccco1)=O)=S)(=O)=O)=N

InChI

InChI=1S/C15H15N5O4S2/c16-14(17)20-26(22,23)12-6-3-10(4-7-12)18-15(25)19-13(21)8-5-11-2-1-9-24-11/h1-9H,(H4,16,17,20)(H2,18,19,21,25)

InChI Key

HVXDPWWYCPFDLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

0.788

Water Solubility, LogSw

-2.21

Polar Surface Area

121.349

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5182-0800 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5182-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5182-0800?
Check Price and Availability of 5182-0800, 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 5182-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5182-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5182-0800
  • 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 5182-0800 available by request