4478-5128 Screening compound: 5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile

4478-5128 Screening compound: 5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile
4478-5128 Screening compound: 5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5128
5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile

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

4478-5128

Molecular Formula

C13H12N2O2S (C13 H12 N2 O2 S)

Compound Name

5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile

IUPAC name

5-acetyl-2-amino-6-methyl-4-(thiophen-2-yl)-4H-pyran-3-carbonitrile

SMILES

CC(C(C1c2cccs2)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C13H12N2O2S/c1-7(16)11-8(2)17-13(15)9(6-14)12(11)10-4-3-5-18-10/h3-5,12H,15H2,1-2H3/t12-/m0/s1

InChI Key

HFJIHLGXKJKPBA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00486681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.214

Distribution Coefficient, logD

1.214

Water Solubility, LogSw

-2.00

Polar Surface Area

61.538

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

4478-5128 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4478-5128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5128?
Check Price and Availability of 4478-5128, 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 4478-5128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5128
  • 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 4478-5128 available by request