3049-0316 Screening compound: 2-benzyl-N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-3-phenylpropanamide

3049-0316 Screening compound: 2-benzyl-N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-3-phenylpropanamide
3049-0316 Screening compound: 2-benzyl-N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3049-0316
2-benzyl-N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-3-phenylpropanamide

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

3049-0316

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

2-benzyl-N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-3-phenylpropanamide

IUPAC name

2-benzyl-N-{3-cyano-55-dimethyl-4H5H7H-thieno[23-c]pyran-2-yl}-3-phenylpropanamide

SMILES

CC(C)(C1)OCc2c1c(C#N)c(NC(C(Cc1ccccc1)Cc1ccccc1)=O)s2

InChI

InChI=1S/C26H26N2O2S/c1-26(2)15-21-22(16-27)25(31-23(21)17-30-26)28-24(29)20(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,20H,13-15,17H2,1-2H3,(H,28,29)

InChI Key

FLGUZZODZIZBHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01876135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.049

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-5.54

Polar Surface Area

47.526

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3049-0316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3049-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3049-0316?
Check Price and Availability of 3049-0316, 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 3049-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3049-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3049-0316
  • 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 3049-0316 available by request