6424-0048 Screening compound: methyl 3-({[(furan-2-yl)methyl]carbamothioyl}amino)benzoate

6424-0048 Screening compound: methyl 3-({[(furan-2-yl)methyl]carbamothioyl}amino)benzoate
6424-0048 Screening compound: methyl 3-({[(furan-2-yl)methyl]carbamothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6424-0048
methyl 3-({[(furan-2-yl)methyl]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

6424-0048

Molecular Formula

C14H14N2O3S (C14 H14 N2 O3 S)

Compound Name

methyl 3-({[(furan-2-yl)methyl]carbamothioyl}amino)benzoate

IUPAC name

methyl 3-({[(furan-2-yl)methyl]carbamothioyl}amino)benzoate

SMILES

COC(c1cccc(NC(NCc2ccco2)=S)c1)=O

InChI

InChI=1S/C14H14N2O3S/c1-18-13(17)10-4-2-5-11(8-10)16-14(20)15-9-12-6-3-7-19-12/h2-8H,9H2,1H3,(H2,15,16,20)

InChI Key

XAHUISOMJGQFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03283467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.42

Polar Surface Area

49.306

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6424-0048 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6424-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6424-0048?
Check Price and Availability of 6424-0048, 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 6424-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6424-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6424-0048
  • 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 6424-0048 available by request