D444-0340 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

D444-0340 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide
D444-0340 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0340
N-{3-[(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

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

D444-0340

Molecular Formula

C28H25N3O3S (C28 H25 N3 O3 S)

Compound Name

N-{3-[(2H-1,3-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

IUPAC name

N-{3-[(2H-13-benzodioxol-5-yl)[(pyridin-2-yl)amino]methyl]-4567-tetrahydro-1-benzothiophen-2-yl}benzamide

SMILES

O=C(c1ccccc1)Nc1c(C(c(cc2)cc3c2OCO3)Nc2ncccc2)c(CCCC2)c2s1

InChI

InChI=1S/C28H25N3O3S/c32-27(18-8-2-1-3-9-18)31-28-25(20-10-4-5-11-23(20)35-28)26(30-24-12-6-7-15-29-24)19-13-14-21-22(16-19)34-17-33-21/h1-3,6-9,12-16,26H,4-5,10-11,17H2,(H,29,30)(H,31,32)/t26-/m1/s1

InChI Key

RDRVKBAHAMAPJW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27586475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

5.975

Water Solubility, LogSw

-5.97

Polar Surface Area

59.090

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D444-0340 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D444-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0340?
Check Price and Availability of D444-0340, 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 D444-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0340
  • 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 D444-0340 available by request