D444-0444 Screening compound: N-(4,5-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-2-yl)benzamide

D444-0444 Screening compound: N-(4,5-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-2-yl)benzamide
D444-0444 Screening compound: N-(4,5-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0444
N-(4,5-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-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

D444-0444

Molecular Formula

C24H23N3OS2 (C24 H23 N3 OS2)

Compound Name

N-(4,5-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-2-yl)benzamide

IUPAC name

N-(45-dimethyl-3-{[(6-methylpyridin-2-yl)amino](thiophen-2-yl)methyl}thiophen-2-yl)benzamide

SMILES

Cc1c(C)sc(NC(c2ccccc2)=O)c1C(c1cccs1)Nc1nc(C)ccc1

InChI

InChI=1S/C24H23N3OS2/c1-15-9-7-13-20(25-15)26-22(19-12-8-14-29-19)21-16(2)17(3)30-24(21)27-23(28)18-10-5-4-6-11-18/h4-14,22H,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1

InChI Key

GBCAQCPCCOUMDX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27586505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.6

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

5.775

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.67

Polar Surface Area

42.447

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D444-0444 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D444-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0444?
Check Price and Availability of D444-0444, 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 D444-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0444
  • 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 D444-0444 available by request