D444-0355 Screening compound: N-(3-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

D444-0355 Screening compound: N-(3-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
D444-0355 Screening compound: N-(3-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0355
N-(3-{[(pyridin-2-yl)amino](thiophen-3-yl)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

D444-0355

Molecular Formula

C25H23N3OS2 (C25 H23 N3 OS2)

Compound Name

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

IUPAC name

N-(3-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4567-tetrahydro-1-benzothiophen-2-yl)benzamide

SMILES

O=C(c1ccccc1)Nc1c(C(c2cscc2)Nc2ncccc2)c(CCCC2)c2s1

InChI

InChI=1S/C25H23N3OS2/c29-24(17-8-2-1-3-9-17)28-25-22(19-10-4-5-11-20(19)31-25)23(18-13-15-30-16-18)27-21-12-6-7-14-26-21/h1-3,6-9,12-16,23H,4-5,10-11H2,(H,26,27)(H,28,29)/t23-/m0/s1

InChI Key

QLFPZOHRGRUPPF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27586481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.871

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.86

Polar Surface Area

42.993

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D444-0355 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 D444-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0355?
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What is the minimum amount of D444-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0355
  • 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 D444-0355 available by request