D429-0229 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D429-0229 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D429-0229 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D429-0229
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-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

D429-0229

Molecular Formula

C25H20N2O3S (C25 H20 N2 O3 S)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

N#Cc1c(NC(c(cc2)cc(CC(c3ccccc3)O3)c2C3=O)=O)sc2c1CCCC2

InChI

InChI=1S/C25H20N2O3S/c26-14-20-19-8-4-5-9-22(19)31-24(20)27-23(28)16-10-11-18-17(12-16)13-21(30-25(18)29)15-6-2-1-3-7-15/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H,27,28)/t21-/m1/s1

InChI Key

GQHRHOAUUBAVOU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12968029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-5.51

Polar Surface Area

60.653

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with D429-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D429-0229?
Check Price and Availability of D429-0229, 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 D429-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D429-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D429-0229
  • 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 D429-0229 available by request