3379-0979 Screening compound: N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-4-methoxybenzamide

3379-0979 Screening compound: N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-4-methoxybenzamide
3379-0979 Screening compound: N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0979
N-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}-4-methoxybenzamide

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

3379-0979

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)OCc2c1c(C#N)c(NC(c(cc1)ccc1OC)=O)s2

InChI

InChI=1S/C18H18N2O3S/c1-18(2)8-13-14(9-19)17(24-15(13)10-23-18)20-16(21)11-4-6-12(22-3)7-5-11/h4-7H,8,10H2,1-3H3,(H,20,21)

InChI Key

SCBNOELADYCQGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02067907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-4.02

Polar Surface Area

55.342

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3379-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0979?
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What is the minimum amount of 3379-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0979
  • 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 3379-0979 available by request