3820-5744 Screening compound: N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide

3820-5744 Screening compound: N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide
3820-5744 Screening compound: N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-5744
N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide

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

3820-5744

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide

IUPAC name

N-[3-({[(3-methylphenyl)formamido]methanethioyl}amino)phenyl]furan-2-carboxamide

SMILES

Cc1cccc(C(NC(Nc2cc(NC(c3ccco3)=O)ccc2)=S)=O)c1

InChI

InChI=1S/C20H17N3O3S/c1-13-5-2-6-14(11-13)18(24)23-20(27)22-16-8-3-7-15(12-16)21-19(25)17-9-4-10-26-17/h2-12H,1H3,(H,21,25)(H2,22,23,24,27)

InChI Key

UMJFKHAWRMEWEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-3.96

Polar Surface Area

64.909

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 3820-5744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-5744?
Check Price and Availability of 3820-5744, 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 3820-5744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-5744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-5744
  • 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 3820-5744 available by request