3454-0196 Screening compound: 4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

3454-0196 Screening compound: 4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
3454-0196 Screening compound: 4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-0196
4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-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

3454-0196

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(furan-2-yl)-6-methyl-N-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c2ccco2)=S)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C16H15N3O2S/c1-10-13(15(20)18-11-6-3-2-4-7-11)14(19-16(22)17-10)12-8-5-9-21-12/h2-9,14H,1H3,(H,18,20)(H2,17,19,22)/t14-/m1/s1

InChI Key

XAZZIBGHWULBSZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00580265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.84

Polar Surface Area

54.344

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3454-0196 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 3454-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-0196?
Check Price and Availability of 3454-0196, 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 3454-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-0196
  • 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 3454-0196 available by request